Information card for entry 4101334

Structure parameters

• Formula: C73 H50 O4
• Calculated formula: C73 H50 O4
• SMILES: O1C(O[C@@H]([C@H]1C(O)(c1cc2ccccc2c2ccccc12)c1c2ccccc2c2ccccc2c1)C(O)(c1cc2ccccc2c2ccccc12)c1c2ccccc2c2ccccc2c1)(c1ccccc1)c1ccccc1
• Title of publication: Enantioselective photocycloaddition mediated by chiral Brønsted acids: asymmetric synthesis of the rocaglamides.
• Authors of publication: Gerard, Baudouin; Sangji, Sheharbano; O'Leary, Daniel J; Porco, Jr, John A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 24
• Pages of publication: 7754 - 7755
• a: 10.2354 ± 0.0006 Å
• b: 18.0628 ± 0.001 Å
• c: 16.1878 ± 0.0009 Å
• α: 90°
• β: 103.189 ± 0.003°
• γ: 90°
• Cell volume: 2913.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No