Crystallography Open Database

Information card for entry 7248299

Preview

Coordinates	7248299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H27 Cl F N4 O4.5
Calculated formula	C25.5 H27 Cl F N4 O4.5
Title of publication	Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility
Authors of publication	Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	15
Pages of publication	2112 - 2122
a	7.73274 ± 0.00005 Å
b	12.20698 ± 0.0001 Å
c	14.35665 ± 0.00012 Å
α	65.3898 ± 0.0008°
β	84.3011 ± 0.0006°
γ	89.307 ± 0.0006°
Cell volume	1225.34 ± 0.018 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291600 (current)	2024-05-05	cif/ Updating files of 7248298, 7248299, 7248300, 7248301, 7248302 Original log message: Adding full bibliography for 7248298--7248302.cif.	7248299.cif
290465	2024-03-13	cif/ Adding structures of 7248298, 7248299, 7248300, 7248301, 7248302 via cif-deposit CGI script.	7248299.cif