Crystallography Open Database

Information card for entry 7247203

Preview

Coordinates	7247203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N O7
Calculated formula	C28 H25 N O7
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	16.0415 ± 0.001 Å
b	6.6425 ± 0.0004 Å
c	44.992 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4794.2 ± 0.5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
286734 (current)	2023-10-06	cif/ Updating files of 7247203, 7247204 Original log message: Adding full bibliography for 7247203--7247204.cif.	7247203.cif
285775	2023-08-16	cif/ Adding structures of 7247203, 7247204 via cif-deposit CGI script.	7247203.cif