Information card for entry 1520349

Structure parameters

• Formula: C6 H15 B5 N2 O10
• Calculated formula: C6 H15 B5 N2 O10
• SMILES: O1[B]2(OB(OB1O)O)OB(OB(O2)O)O.[nH]1c([nH+]cc1)C(C)C
• Title of publication: C6H15B5N2O10
• Authors of publication: Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1246
• a: 8.1239 ± 0.0005 Å
• b: 9.4947 ± 0.0005 Å
• c: 9.9342 ± 0.0004 Å
• α: 106.587 ± 0.003°
• β: 91.279 ± 0.003°
• γ: 96.031 ± 0.003°
• Cell volume: 729.21 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No