Crystallography Open Database

Information card for entry 7058872

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Coordinates	7058872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 N2 O2
Calculated formula	C30 H32 N2 O2
Title of publication	Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility
Authors of publication	Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	43
Pages of publication	16889
a	9.3914 ± 0.0007 Å
b	13.6642 ± 0.0008 Å
c	19.2618 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2471.8 ± 0.3 Å³
Cell temperature	173 ± 6 K
Ambient diffraction temperature	173 ± 6 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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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