Information card for entry 4334539

Structure parameters

• Formula: C28 H28 B P
• Calculated formula: C28 H28 B P
• SMILES: c12cccc3cccc(c13)[B]1(c3ccccc3c3ccccc13)[P]2(C(C)C)C(C)C
• Title of publication: Phosphino-Boryl-Naphthalenes: Geometrically Enforced, Yet Lewis Acid Responsive P →B Interactions
• Authors of publication: Sébastien Bontemps; Marc Devillard; Sonia Mallet-Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4714 - 4720
• a: 8.2638 ± 0.001 Å
• b: 10.8794 ± 0.0013 Å
• c: 13.1612 ± 0.0016 Å
• α: 107.945 ± 0.007°
• β: 100.623 ± 0.006°
• γ: 97.096 ± 0.006°
• Cell volume: 1085.6 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No