Crystallography Open Database

Information card for entry 8106604

Preview

Coordinates	8106604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N2 O3
Calculated formula	C22 H18 N2 O3
SMILES	O1c2ccc3cc(OC)ccc3c2C(C(=C1N)C#N)c1ccc(OC)cc1
Title of publication	Crystal structure of 3-amino-8-methoxy-1-(4-methoxy phenyl)-1H-benzo[f]chromene-2-carbonitrile, C22H18N2O3
Authors of publication	Fouda, Ahmed M.; Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	567 - 569
a	35.4037 ± 0.001 Å
b	6.0294 ± 0.0002 Å
c	20.1702 ± 0.0007 Å
α	90°
β	122.239 ± 0.004°
γ	90°
Cell volume	3641.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0833
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	0.91
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280637 (current)	2023-01-27	cif/ Adding structures of 8106604 via cif-deposit CGI script.	8106604.cif