Crystallography Open Database

Information card for entry 7210131

Preview

Coordinates	7210131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N O2
Calculated formula	C16 H15 N O2
SMILES	Oc1ccc(cc1)NC(=O)/C=C/c1cccc(c1)C
Title of publication	Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper
Authors of publication	Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	23
Pages of publication	4667
a	7.1644 ± 0.0015 Å
b	17.79 ± 0.004 Å
c	10.796 ± 0.002 Å
α	90°
β	96.59 ± 0.005°
γ	90°
Cell volume	1366.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.1505
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180432 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/01.	7210131.cif
87039	2013-07-13	cif/ Adding structures of 7210130, 7210131, 7210132, 7210133, 7210134 via cif-deposit CGI script.	7210131.cif