Crystallography Open Database

Information card for entry 7211141

Preview

Coordinates	7211141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N4 O8.5
Calculated formula	C28 H25 N4 O8.5
Title of publication	Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization
Authors of publication	Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	38
Pages of publication	7696
a	7.629 ± 0.002 Å
b	33.472 ± 0.009 Å
c	10.073 ± 0.003 Å
α	90°
β	98.39 ± 0.03°
γ	90°
Cell volume	2544.7 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1186
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7211141.cif
90213	2013-11-17	cif/ Adding structures of 7211139, 7211140, 7211141, 7211142, 7211143, 7211144, 7211145, 7211146, 7211147 via cif-deposit CGI script.	7211141.cif