Information card for entry 1574021

Structure parameters

• Formula: C29 H44 N2 O2
• Calculated formula: C29 H44 N2 O2
• SMILES: Oc1cc(cc(c1C/C=C(CCC=C(C)C)\C)O)CCCCC.n1c(c(nc(c1C)C)C)C
• 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: 8.8766 ± 0.0001 Å
• b: 17.645 ± 0.0001 Å
• c: 17.2008 ± 0.0001 Å
• α: 90°
• β: 91.5518 ± 0.0006°
• γ: 90°
• Cell volume: 2693.13 ± 0.04 ų
• 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9803
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No