Information card for entry 7110951

Structure parameters

• Chemical name: N,N-dibenzylammonium N,N-dibenzylcarbamate
• Formula: C29 H30 N2 O2
• Calculated formula: C29 H30 N2 O2
• SMILES: [O-]C(=O)N(Cc1ccccc1)Cc1ccccc1.[NH2+](Cc1ccccc1)Cc1ccccc1
• Title of publication: Isolation and structural determination of two derivatives of the elusive carbamic acid
• Authors of publication: Aresta, Michele; Ballivet-Tkatchenko, Danielle; Dell’Amico, Daniela Belli; Boschi, Daniele; Calderazzo, Fausto; Labella, Luca; Bonnet, Michel C.; Faure, René; Marchetti, Fabio
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 1099
• a: 15.339 ± 0.001 Å
• b: 8.85 ± 0.001 Å
• c: 18.402 ± 0.002 Å
• α: 90°
• β: 101.98 ± 0.01°
• γ: 90°
• Cell volume: 2443.7 ± 0.4 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: 0.085
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No