Information card for entry 4072310

Structure parameters

• Formula: C48 H47 O7.5 P2
• Calculated formula: C48 H47 O7.5 P2
• SMILES: P(=O)(c1c(c2CC(Cc2c(c1C(=O)CP(=O)(c1ccccc1)c1ccccc1)C)(C(=O)OC)C(=O)OC)C)(c1ccccc1)c1ccccc1.O.c1ccccc1C
• Title of publication: Highly Enantioselective Synthesis of Pseudo-C2-Symmetric Axially Chiral Biaryl Diphosphines via Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition
• Authors of publication: Doherty, Simon; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 4837
• a: 39.18 ± 0.009 Å
• b: 12.3931 ± 0.0015 Å
• c: 17.421 ± 0.006 Å
• α: 90°
• β: 102.162 ± 0.017°
• γ: 90°
• Cell volume: 8269 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No