Information card for entry 1520662

Structure parameters

• Formula: C25 H36 O
• Calculated formula: C25 H36 O
• SMILES: O1C2(C(=C(c3cc(cc(c13)C(C)(C)C)C(C)(C)C)C)CC=C(C)C)CC2
• Title of publication: Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes
• Authors of publication: Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5519
• a: 14.4666 ± 0.0005 Å
• b: 10.0707 ± 0.0003 Å
• c: 16.4037 ± 0.0006 Å
• α: 90°
• β: 109.508 ± 0.001°
• γ: 90°
• Cell volume: 2252.65 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No