Information card for entry 1505395

Structure parameters

• Formula: C13 H16 O2
• Calculated formula: C13 H16 O2
• SMILES: O=C1CCC[C@H]2C(=O)C[C@H]3C(=C)C[C@@]12C3.O=C1CCC[C@@H]2C(=O)C[C@@H]3C(=C)C[C@]12C3
• Title of publication: Formal synthesis of (+/-)-platensimycin.
• Authors of publication: Zou, Yefen; Chen, Chun-Hsing; Taylor, Christopher D.; Foxman, Bruce M.; Snider, Barry B.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 1825 - 1828
• a: 8.7665 ± 0.0003 Å
• b: 10.4942 ± 0.0003 Å
• c: 12.5707 ± 0.0004 Å
• α: 72.629 ± 0.002°
• β: 73.576 ± 0.002°
• γ: 79.924 ± 0.002°
• Cell volume: 1053.5 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0642
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9385
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No