Information card for entry 7229896

Structure parameters

• Formula: C15 H20 N4 O7
• Calculated formula: C15 H20 N4 O7
• Title of publication: Co-crystals and Salts of Vanillic Acid and Vanillin with Amines
• Authors of publication: Amombo Noa, Francoise M.; Mehlana, Gift
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 896 - 905
• a: 8.3765 ± 0.001 Å
• b: 8.4985 ± 0.001 Å
• c: 12.2641 ± 0.0014 Å
• α: 79.403 ± 0.002°
• β: 76.928 ± 0.002°
• γ: 80.829 ± 0.002°
• Cell volume: 829.58 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7229905
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No