Information card for entry 1508726

Structure parameters

• Formula: C48 H54 O6
• Calculated formula: C48 H54 O6
• SMILES: O(Cc1ccc(OC)cc1)[C@]([C@H](/C=C/c1ccccc1)[C@H]([C@@](OCc1ccc(OC)cc1)(CC)C(=O)CC=C)/C=C/c1ccccc1)(CC)C(=O)CC=C
• Title of publication: Enantioselective synthesis of the ent-lomaiviticin A bicyclic core.
• Authors of publication: Feldman, Ken S.; Selfridge, Brandon R.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5484 - 5487
• a: 8.966 ± 0.002 Å
• b: 8.966 ± 0.002 Å
• c: 53.26 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4282 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.2779
• Residual factor for significantly intense reflections: 0.14
• Weighted residual factors for significantly intense reflections: 0.3556
• Weighted residual factors for all reflections included in the refinement: 0.4275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No