Crystallography Open Database

Information card for entry 7250211

Preview

Coordinates	7250211.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7_Cyano_L_Trp
Chemical name	7_Cyano_L_Trp
Formula	C12 H11 N3 O2
Calculated formula	C12 H11 N3 O2
Title of publication	Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of molecular arrangement for functionalized crystals
Authors of publication	Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru
Journal of publication	CrystEngComm
Year of publication	2025
a	11.81 ± 0.12 Å
b	4.94 ± 0.08 Å
c	17.74 ± 0.13 Å
α	90°
β	95.86 ± 0.17°
γ	90°
Cell volume	1030 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2544
Residual factor for significantly intense reflections	0.1854
Weighted residual factors for significantly intense reflections	0.4603
Weighted residual factors for all reflections included in the refinement	0.5176
Goodness-of-fit parameter for all reflections included in the refinement	1.185
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	transmissionelectronmicroscope
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298695 (current)	2025-04-03	cif/ Adding structures of 7250211, 7250212, 7250213, 7250214 via cif-deposit CGI script.	7250211.cif