Crystallography Open Database

Information card for entry 7249473

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Coordinates	7249473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 N4 O2 S
Calculated formula	C23 H22 N4 O2 S
Title of publication	Mechanism of solvent-mediated polymorphic transformation to prepare axitinib form XLI controlled by water activity
Authors of publication	Li, Tong; Zhang, Jin; Li, Maolin; Qu, Haibin; Wu, Songgu; Gong, Junbo
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	46
Pages of publication	6562 - 6572
a	7.6162 ± 0.0007 Å
b	12.3399 ± 0.0017 Å
c	12.7919 ± 0.0013 Å
α	66.228 ± 0.012°
β	89.807 ± 0.008°
γ	74.215 ± 0.01°
Cell volume	1051 ± 0.2 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1879
Residual factor for significantly intense reflections	0.1375
Weighted residual factors for significantly intense reflections	0.3422
Weighted residual factors for all reflections included in the refinement	0.3747
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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