Information card for entry 1504639

Structure parameters

• Formula: C42 H32 O
• Calculated formula: C42 H32 O
• SMILES: OC(C(=C=C(c1ccccc1)c1ccccc1)C=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: LDA-mediated selective addition reaction of vinylidenecyclopropanes with aldehydes, ketones, and enones: facile synthesis of vinylcyclopropenes, allenols, and 1,3-enynes.
• Authors of publication: Lu, Jian-Mei; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1943 - 1946
• a: 11.8885 ± 0.0011 Å
• b: 10.2056 ± 0.0009 Å
• c: 25.796 ± 0.002 Å
• α: 90°
• β: 93.432 ± 0.002°
• γ: 90°
• Cell volume: 3124.2 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No