Crystallography Open Database

Information card for entry 7247204

Preview

Coordinates	7247204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 N2 O7
Calculated formula	C39 H32 N2 O7
SMILES	O1C=C(c2ccc(O)cc2)C(=O)c2c(O)cc(O)cc12.O=c1n(cc(cc1)C)c1ccccc1.O=c1n(cc(cc1)C)c1ccccc1
Title of publication	Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate
Authors of publication	Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	36
Pages of publication	5133 - 5140
a	18.9053 ± 0.0006 Å
b	8.2831 ± 0.0002 Å
c	20.9395 ± 0.0005 Å
α	90°
β	98.594 ± 0.002°
γ	90°
Cell volume	3242.19 ± 0.15 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
286734 (current)	2023-10-06	cif/ Updating files of 7247203, 7247204 Original log message: Adding full bibliography for 7247203--7247204.cif.	7247204.cif
285775	2023-08-16	cif/ Adding structures of 7247203, 7247204 via cif-deposit CGI script.	7247204.cif