Information card for entry 7105722

Structure parameters

• Formula: C14 H33 B3 N4 O3
• Calculated formula: C14 H33 B3 N4 O3
• SMILES: [BH2]1[N]2([B]3([N]([BH3])([C@H](CO3)C)C[C@@H]2C)OC2N(C[C@H](C)[N]1=2)[C@H](CO)C)C
• Title of publication: Pseudo alkaloid from Ala-Ala dipeptide. A novel synthetic approach towards complex molecular framework.
• Authors of publication: Vellaisamy Kasipandi; Venkatachalam Ramkumar
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 9212
• a: 10.7127 ± 0.0015 Å
• b: 11.689 ± 0.0016 Å
• c: 15.5054 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1941.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No