Information card for entry 1520146

Structure parameters

• Formula: C6 H19 B5 N2 O10
• Calculated formula: C6 H19 B5 N2 O10
• SMILES: [B]12(OB(OB(O1)O)O)OB(OB(O2)O)O.C1C[NH+](CCN1C)C
• Title of publication: C6 H19 B5 N2 O10
• Authors of publication: Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 589
• a: 8.8129 ± 0.0002 Å
• b: 8.896 ± 0.0002 Å
• c: 10.3618 ± 0.0002 Å
• α: 74.043 ± 0.001°
• β: 78.854 ± 0.001°
• γ: 88.962 ± 0.001°
• Cell volume: 765.8 ± 0.03 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: 0.0358
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No