Information card for entry 1503504

Structure parameters

• Formula: C23 H22 Cl2 O2
• Calculated formula: C23 H22 Cl2 O2
• SMILES: Clc1c(C[C@H]2[C@@]34OC(=O)[C@]3(CC2)CC[C@H]4Cc2ccccc2)ccc(Cl)c1.Clc1c(C[C@@H]2[C@]34OC(=O)[C@@]3(CC2)CC[C@@H]4Cc2ccccc2)ccc(Cl)c1
• Title of publication: Radical cyclization cascades of unsaturated Meldrum's acid derivatives.
• Authors of publication: Sautier, Brice; Lyons, Sarah E.; Webb, Michael R.; Procter, David J.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 146 - 149
• a: 16.897 ± 0.003 Å
• b: 7.9962 ± 0.0012 Å
• c: 14.334 ± 0.002 Å
• α: 90°
• β: 91.242 ± 0.003°
• γ: 90°
• Cell volume: 1936.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No