Information card for entry 7102200

Structure parameters

• Formula: C19 H24 O3
• Calculated formula: C19 H24 O3
• SMILES: O1[C@H](C=C)[C@H]2CCCC[C@@H]2C(=C1)OCc1ccc(OC)cc1.O1[C@@H](C=C)[C@@H]2CCCC[C@H]2C(=C1)OCc1ccc(OC)cc1
• Title of publication: Rapid synthesis of medium-ring fused polycarbocyclic systems by rearrangement of carbenoid-derived oxonium ylides.
• Authors of publication: Clark, J Stephen; Guérot, Carine; Wilson, Claire; Blake, Alexander J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4134 - 4136
• a: 5.4027 ± 0.0006 Å
• b: 11.2344 ± 0.0013 Å
• c: 13.4933 ± 0.0016 Å
• α: 97.311 ± 0.002°
• β: 95.227 ± 0.002°
• γ: 91.841 ± 0.002°
• Cell volume: 808.16 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No