Information card for entry 7102201

Structure parameters

• Formula: C16 H24 O2
• Calculated formula: C16 H24 O2
• SMILES: C1(=O)[C@@H]2[C@H]3CCCC[C@@]23[C@@H](OC)[C@@H]2CCCC[C@@H]12.C1(=O)[C@H]2[C@@H]3CCCC[C@]23[C@H](OC)[C@H]2CCCC[C@H]12
• 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: 31.128 ± 0.011 Å
• b: 33.904 ± 0.012 Å
• c: 5.139 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5424 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No