Information card for entry 7151263

Structure parameters

• Formula: C29 H25 O3 P
• Calculated formula: C29 H25 O3 P
• SMILES: P(=O)(C1=C(O[C@@H](C1)[C@H](O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.
• Authors of publication: Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 3108 - 3112
• a: 11.1634 ± 0.0001 Å
• b: 11.1634 ± 0.0001 Å
• c: 33.8352 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3651.68 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No