Information card for entry 2225069

Structure parameters

• Chemical name: 3-(10,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)- <i>N</i>,<i>N</i>,2-trimethylpropan-1-aminium hydrogen maleate
• Formula: C24 H30 N2 O4
• Calculated formula: C24 H30 N2 O4
• SMILES: O=C([O-])/C=C\C(=O)O.N1(c2ccccc2CCc2ccccc12)CC(C)C[NH+](C)C
• Title of publication: Trimipraminium maleate
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-Arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o366 - o367
• a: 19.4356 ± 0.0004 Å
• b: 11.0542 ± 0.0004 Å
• c: 40.4107 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8682 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes