Simple Averaging Procedure for Aromatic Ring System: Mean Molecular Fragment of Tryptophan Metabolites

AKIO WAKAHARA; TOSHIMASA ISHIDA

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Simple Averaging Procedure for Aromatic Ring System: Mean Molecular Fragment of Tryptophan Metabolites

机译：芳香环系统的简单平均程序：色氨酸代谢产物的平均分子片段

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A simple averaging procedure of bond lengths and angles applicable to an aromatic ring system was applied to the crystal structures of the tryptophan metabolites analyzed so far, as an example. Statistical analysis showed no marked effect of the 5-substituent on the molecular dimensions of the 3-substituted indole ring in tryptophan metabolites. The standard bond lengths and angles of the 3-substituted indole ring were calculated according to the statistical averaging procedure outlined here and using data from 35 tryptophan metabolites; the interatomic correlations of the indole ring have been discussed based on these values. The result suggests the validity of the D2 statistic for averaging the planar ring structure in aromatic systems.

机译：作为示例，将适用于芳族环系统的键长和键的简单平均程序应用于迄今分析的色氨酸代谢物的晶体结构。统计分析表明色氨酸代谢物中5-取代基对3-取代的吲哚环的分子尺寸没有显着影响。根据此处概述的统计平均程序，使用35种色氨酸代谢物的数据，计算3-取代吲哚环的标准键长和角度。基于这些值，已经讨论了吲哚环的原子间相关性。结果表明，D2统计量对于平均芳香族体系中平面环结构的有效性。

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《Acta Crystallographica, Section B. Structural Science》 |1996年第4期|共6页
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AKIO WAKAHARA; TOSHIMASA ISHIDA;
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正文语种 eng
中图分类晶体学;
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1. Simple Averaging Procedure for Aromatic Ring System: Mean Molecular Fragment of Tryptophan Metabolites [J] . AKIO WAKAHARA, TOSHIMASA ISHIDA Acta Crystallographica, Section B. Structural Science . 1996,第4期

机译：芳香环系统的简单平均程序：色氨酸代谢产物的平均分子片段
2. A highly selective cascade approach to diverse aromatic ring systems from simple aromatic aldehydes and propiolates [J] . Wang YG, Cui SL, Lin XF Organic letters . 2006,第6期

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Simple Averaging Procedure for Aromatic Ring System: Mean Molecular Fragment of Tryptophan Metabolites

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