Information card for entry 1520374

Structure parameters

• Formula: C7 H14 B5 N O10
• Calculated formula: C7 H14 B5 N O10
• SMILES: [B]12(OB(OB(O1)O)O)OB(OB(O2)O)O.C(c1ccccc1)[NH3+]
• Title of publication: C7H14B5O10N
• 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: 703
• a: 9.3511 ± 0.0002 Å
• b: 14.5157 ± 0.0004 Å
• c: 10.467 ± 0.0002 Å
• α: 90°
• β: 90.778 ± 0.002°
• γ: 90°
• Cell volume: 1420.64 ± 0.06 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: 0.0457
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No