Information card for entry 7118982

Structure parameters

• Formula: C23 H42 B10 N O4 P
• Calculated formula: C23 H42 B10 N O4 P
• SMILES: N(=C([C]1234[C]567(P(OC(=O)C)OC(=O)C)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)\C(C)(C)C)\c1c(cccc1C(C)C)C(C)C
• Title of publication: The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound
• Authors of publication: Tek Long Chan; Zuowei Xie
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7280
• a: 10.3092 ± 0.0003 Å
• b: 10.9189 ± 0.0004 Å
• c: 16.0645 ± 0.0006 Å
• α: 80.327 ± 0.002°
• β: 73.798 ± 0.002°
• γ: 74.727 ± 0.002°
• Cell volume: 1666.41 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No