Information card for entry 1503505

Structure parameters

• Formula: C24 H24 Cl2 O3
• Calculated formula: C24 H24 Cl2 O3
• SMILES: [C@]12([C@H](CC[C@@]1(CCCC\2=C/c1ccccc1)C(=O)O)Cc1c(cc(cc1)Cl)Cl)O.[C@@]12([C@@H](CC[C@]1(CCCC\2=C/c1ccccc1)C(=O)O)Cc1c(cc(cc1)Cl)Cl)O
• 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: 11.3127 ± 0.0012 Å
• b: 11.5028 ± 0.0012 Å
• c: 17.0515 ± 0.0018 Å
• α: 76.16 ± 0.002°
• β: 74.987 ± 0.002°
• γ: 81.589 ± 0.002°
• Cell volume: 2072.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No