Crystallography Open Database

Information card for entry 7058873

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Coordinates	7058873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 N2 O3
Calculated formula	C28 H38 N2 O3
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	7.3836 ± 0.0005 Å
b	21.3958 ± 0.0014 Å
c	32.4582 ± 0.0019 Å
α	90°
β	94.771 ± 0.005°
γ	90°
Cell volume	5109.9 ± 0.6 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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