Crystallography Open Database

Information card for entry 7232159

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Structure parameters

Formula	C23 H16 N2 O
Calculated formula	C23 H16 N2 O
Title of publication	Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.
Authors of publication	Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2019
Journal volume	21
Journal issue	6
Pages of publication	3218 - 3226
a	7.777 ± 0.0016 Å
b	17.853 ± 0.004 Å
c	12.949 ± 0.003 Å
α	90°
β	101.44 ± 0.03°
γ	90°
Cell volume	1762.2 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7232159.cif
225327	2019-11-08	cif/ Updating files of 7232158, 7232159, 7232160 Original log message: Adding full bibliography for 7232158--7232160.cif.	7232159.cif
213040	2019-01-13	cif/ Adding structures of 7232158, 7232159, 7232160 via cif-deposit CGI script.	7232159.cif