Information card for entry 1556237

Structure parameters

• Formula: C27 H24 O3
• Calculated formula: C27 H24 O3
• SMILES: [C@@H]12[C@H]([C@H]3[C@@H](C(=O)[C@@H]1[C@H](C3=O)CC=C2c1ccccc1)C)/C=C/C(=O)c1ccccc1.[C@H]12[C@@H]([C@@H]3[C@H](C(=O)[C@H]1[C@@H](C3=O)CC=C2c1ccccc1)C)/C=C/C(=O)c1ccccc1
• Title of publication: Merging oxidative dearomatization and aminocatalysis: one-pot enantioselective synthesis of tricyclic architectures.
• Authors of publication: Portalier, François; Bourdreux, Flavien; Marrot, Jérôme; Moreau, Xavier; Coeffard, Vincent; Greck, Christine
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 5642 - 5645
• a: 8.5625 ± 0.0006 Å
• b: 10.345 ± 0.0007 Å
• c: 13.4111 ± 0.0008 Å
• α: 101.833 ± 0.003°
• β: 103.203 ± 0.003°
• γ: 108.39 ± 0.004°
• Cell volume: 1046.94 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No