Information card for entry 1520469

Structure parameters

• Formula: C5 H16 B5 N O10
• Calculated formula: C5 H16 B5 N O10
• SMILES: O1[B]2(OB(OB1O)O)OB(OB(O2)O)O.[NH3+]C1CCCC1
• Title of publication: C5H16B5NO10
• Authors of publication: Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2010
• Pages of publication: 1259
• a: 9.4446 ± 0.0004 Å
• b: 13.9129 ± 0.0007 Å
• c: 10.333 ± 0.0003 Å
• α: 90°
• β: 92.517 ± 0.003°
• γ: 90°
• Cell volume: 1356.46 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No