Crystallography Open Database

Information card for entry 7250025

Preview

Coordinates	7250025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 N2 O2
Calculated formula	C31 H38 N2 O2
Title of publication	Stability study and structural insights into cannabidiol cocrystals
Authors of publication	Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	14
Pages of publication	2154 - 2165
a	9.919 ± 0.0002 Å
b	18.6995 ± 0.0004 Å
c	14.2034 ± 0.0003 Å
α	90°
β	91.711 ± 0.002°
γ	90°
Cell volume	2633.28 ± 0.1 Å³
Cell temperature	95 K
Ambient diffraction temperature	95 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for all reflections	0.1573
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	0.9309
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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