Information card for entry 7102637

Structure parameters

• Formula: C30 H28 O2 P2
• Calculated formula: C30 H28 O2 P2
• SMILES: P([C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2P(c1ccccc1)c1ccccc1)(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: 9.312 ± 0.0004 Å
• b: 10.1516 ± 0.0004 Å
• c: 26.5195 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2506.9 ± 0.2 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: 0.0844
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No