Information card for entry 4024271

Structure parameters

• Formula: C27 H24 O
• Calculated formula: C27 H24 O
• SMILES: O=C(CCc1c(c2c(c(c1C)c1ccccc1)cccc2)c1ccccc1)C
• Title of publication: A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide
• Authors of publication: Wei Li; Min Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 856 - 860
• a: 8.6509 ± 0.0009 Å
• b: 23.526 ± 0.002 Å
• c: 9.9925 ± 0.001 Å
• α: 90°
• β: 94.525 ± 0.002°
• γ: 90°
• Cell volume: 2027.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No