Crystallography Open Database

Information card for entry 1574022

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Coordinates	1574022.cif
Original IUCr paper	HTML

Structure parameters

Formula	C25 H42 N2 O2
Calculated formula	C25 H42 N2 O2
Title of publication	Surface analysis of cannabigerol cocrystals: linking crystal structure to enhanced properties.
Authors of publication	Zmeškalová, Eliška; Stara, František; Havlůjová, Tereza; Šoóš, Miroslav
Journal of publication	IUCrJ
Year of publication	2025
Journal volume	12
Journal issue	2
a	8.7047 ± 0.0001 Å
b	26.7487 ± 0.0001 Å
c	11.0627 ± 0.0001 Å
α	90°
β	111.236 ± 0.0008°
γ	90°
Cell volume	2400.92 ± 0.04 Å³
Cell temperature	95 K
Ambient diffraction temperature	95 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for all reflections	0.1278
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	0.8694
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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