Information card for entry 1505015

Structure parameters

• Formula: C39 H34 O2
• Calculated formula: C39 H34 O2
• SMILES: O([C@]1([C@@H](CC1)c1ccccc1OCc1ccccc1)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1)C.O([C@@]1([C@H](CC1)c1ccccc1OCc1ccccc1)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1)C
• Title of publication: Lewis acid-catalyzed cascade reactions of arylmethylenecyclopropanes with 1,1,3-triarylprop-2-yn-1-ols or their methyl ethers.
• Authors of publication: Yao, Liang-Feng; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5187 - 5190
• a: 11.9815 ± 0.0012 Å
• b: 28.144 ± 0.003 Å
• c: 9.7933 ± 0.001 Å
• α: 90°
• β: 111.828 ± 0.002°
• γ: 90°
• Cell volume: 3065.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No