Crystallography Open Database

Information card for entry 4508176

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Structure parameters

Formula	C23 H31 N O
Calculated formula	C23 H31 N O
Title of publication	Light-Driven Bending Crystals of Salicylidenephenylethylamines in Enantiomeric and Racemate Forms
Authors of publication	Koshima, Hideko; Matsuo, Risa; Matsudomi, Masafumi; Uemura, Yutaro; Shiro, Motoo
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4330
a	9.9176 ± 0.0012 Å
b	6.3244 ± 0.0008 Å
c	34.355 ± 0.004 Å
α	90°
β	94.775 ± 0.008°
γ	90°
Cell volume	2147.4 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.2711
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301842 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure.	4508176.cif
179617	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/81.	4508176.cif
88893	2013-10-09	cif/ Adding structures of 4508176 via cif-deposit CGI script.	4508176.cif