Information card for entry 2019069

Structure parameters

• Common name: Dibenzylammonium hydrogen maleate
• Chemical name: Dibenzylammonium (2<i>Z</i>)-3-carboxyprop-2-enoate
• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: [NH2+](Cc1ccccc1)Cc1ccccc1.C(=O)(/C=C\C(=O)[O-])O
• Title of publication: Dibenzylammonium hydrogen maleate and a redetermination at 120K of bis(dibenzylamino)methane
• Authors of publication: Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 798 - 802
• a: 5.7551 ± 0.0005 Å
• b: 16.1579 ± 0.0019 Å
• c: 17.123 ± 0.0019 Å
• α: 90°
• β: 95.464 ± 0.008°
• γ: 90°
• Cell volume: 1585 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0757
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes