Crystallography Open Database

Information card for entry 7231341

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Coordinates	7231341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 N6 O15 S2
Calculated formula	C50 H54 N6 O15 S2
Title of publication	Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals
Authors of publication	Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5945
a	12.9994 ± 0.0008 Å
b	12.9994 ± 0.0008 Å
c	29.744 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5026.3 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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