Crystallography Open Database

Information card for entry 7234400

Preview

Coordinates	7234400.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(4-(diphenylamino)-2-methoxybenzylidene)malononitrile
Formula	C23 H17 N3 O
Calculated formula	C23 H17 N3 O
SMILES	O(c1cc(N(c2ccccc2)c2ccccc2)ccc1C=C(C#N)C#N)C
Title of publication	Reversible fluorescence switching and topochemical conversion in an organic AEE material: polymorphism, defection and nanofabrication mediated fluorescence tuning
Authors of publication	P. S. Hariharan; Dohyun Moon; Savarimuthu Philip Anthony
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	8381 - 8388
a	34.743 ± 0.007 Å
b	6.907 ± 0.0014 Å
c	16.066 ± 0.003 Å
α	90°
β	110.18 ± 0.03°
γ	90°
Cell volume	3618.7 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.60999 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219118 (current)	2019-10-07	cif/ Adding structures of 7234400, 7234401 via cif-deposit CGI script.	7234400.cif