Information card for entry 1504640

Structure parameters

• Formula: C34 H28 O
• Calculated formula: C34 H28 O
• SMILES: O=C1C[C@H](C(C#CC=C(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)CC1
• 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: 10.5143 ± 0.0013 Å
• b: 23.392 ± 0.003 Å
• c: 10.5182 ± 0.0013 Å
• α: 90°
• β: 106.571 ± 0.002°
• γ: 90°
• Cell volume: 2479.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No