Information card for entry 1556189

Structure parameters

• Formula: C24 H26 O4
• Calculated formula: C24 H26 O4
• SMILES: O=C(OC)C(=C(\C=C\c1ccc(cc1)c1ccccc1)CCCC)C(=O)OC
• Title of publication: Unexpected regioselectivity switch: organophosphine-triggered reactions of cyclopropene-1,1-dicarboxylates with aldehydes.
• Authors of publication: Ni, Shengjun; Chen, Jie; Ma, Shengming
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 3290 - 3293
• a: 6.2434 ± 0.0005 Å
• b: 8.0127 ± 0.0007 Å
• c: 21.1301 ± 0.0018 Å
• α: 90°
• β: 90.262 ± 0.002°
• γ: 90°
• Cell volume: 1057.05 ± 0.15 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: 0.0593
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No