Information card for entry 1512318

Structure parameters

• Formula: C31 H29 N O7
• Calculated formula: C31 H29 N O7
• SMILES: C1(=O)c2ccccc2C(=O)N1[C@H]1CC([C@H]2C=CC=CC(=C2O1)c1ccc(cc1)C)(C(=O)OCC)C(=O)OCC.C1(=O)c2ccccc2C(=O)N1[C@@H]1CC([C@@H]2C=CC=CC(=C2O1)c1ccc(cc1)C)(C(=O)OCC)C(=O)OCC
• Title of publication: Regio- and Diastereoselective Stepwise [8 + 3]-Cycloaddition Reaction between Tropone Derivatives and Donor-Acceptor Cyclopropanes.
• Authors of publication: Rivero, Alexandra R.; Fernández, Israel; Sierra, Miguel Ángel
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 4928 - 4931
• a: 9.309 ± 0.007 Å
• b: 11.395 ± 0.009 Å
• c: 15.008 ± 0.011 Å
• α: 108.365 ± 0.015°
• β: 105.407 ± 0.015°
• γ: 96.871 ± 0.016°
• Cell volume: 1420.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2354
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No