Crystallography Open Database

Information card for entry 7240606

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Coordinates	7240606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H108 O5
Calculated formula	C61 H108 O5
Title of publication	Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions
Authors of publication	Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce
Journal of publication	CrystEngComm
Year of publication	2020
a	9.439 ± 0.002 Å
b	7.5391 ± 0.0016 Å
c	39.635 ± 0.008 Å
α	90°
β	95.216 ± 0.006°
γ	90°
Cell volume	2808.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.3086
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	0.743
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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