Information card for entry 1520373

Structure parameters

• Formula: C19 H26 B6 O13.5 P
• Calculated formula: C19 H25 B6 O13.4995 P
• SMILES: [B]12(OB(O)OB(O)O2)OB(O)OB(O1)O.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.B(O)(O)O.O
• Title of publication: C19H21B6O13.5P
• 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: 702
• a: 10.1076 ± 0.001 Å
• b: 13.0403 ± 0.001 Å
• c: 20.626 ± 0.0015 Å
• α: 84.364 ± 0.005°
• β: 82.811 ± 0.004°
• γ: 76.492 ± 0.004°
• Cell volume: 2615.9 ± 0.4 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: 0.1042
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.173
• 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: Yes
• Has Fobs: No