Information card for entry 7102636

Structure parameters

• Formula: C30 H28 O2 P2
• Calculated formula: C30 H28 O2 P2
• SMILES: P([C@H]1[C@H]2OC[C@@H](P(c3ccccc3)c3ccccc3)[C@H]2OC1)(c1ccccc1)c1ccccc1
• Title of publication: A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate
• Authors of publication: Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1236 - 1237
• a: 11.5522 ± 0.0009 Å
• b: 14.0034 ± 0.0011 Å
• c: 15.4518 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2499.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No