Information card for entry 1508938

Structure parameters

• Formula: C20 H23 O3 P
• Calculated formula: C20 H23 O3 P
• SMILES: P(=O)(c1ccccc1)([C@]12C(=O)CC[C@H]1C2(C)C)c1ccccc1.O
• Title of publication: Enantioselective Total Synthesis of (+)-Colletoic Acid via Catalytic Asymmetric Intramolecular Cyclopropanation of an α-Diazo-β-keto Diphenylphosphine Oxide.
• Authors of publication: Sawada, Takashi; Nakada, Masahisa
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1004 - 1007
• a: 8.10822 ± 0.00015 Å
• b: 13.8133 ± 0.0003 Å
• c: 15.9269 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1783.83 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No