Information card for entry 7218774

Structure parameters

• Chemical name: vanillic acid acridine co-crystal
• Formula: C21 H17 N O4
• Calculated formula: C21 H17 N O4
• SMILES: OC(=O)c1ccc(O)c(OC)c1.n1c2ccccc2cc2ccccc12
• Title of publication: Co-crystals and co-crystal hydrates of vanillic acid
• Authors of publication: Jacobs, Ayesha; Amombo Noa, Francoise M.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 98
• a: 8.469 ± 0.0017 Å
• b: 22.621 ± 0.005 Å
• c: 8.9534 ± 0.0018 Å
• α: 90°
• β: 90.68 ± 0.03°
• γ: 90°
• Cell volume: 1715.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1092
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No