Information card for entry 7103350

Structure parameters

• Formula: C32 H40 O6
• Calculated formula: C32 H40 O6
• SMILES: O=C1[C@@H]([C@H](C(=C1C)c1ccccc1)c1c(OC)cc(OC)cc1OC)C(=O)O[C@@H]1[C@H](CC[C@@H](C1)C)C(C)C
• Title of publication: Ni(II)-catalyzed enantioselective Nazarov cyclizations.
• Authors of publication: Walz, Irene; Togni, Antonio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4315 - 4317
• a: 10.0389 ± 0.0005 Å
• b: 15.9508 ± 0.0007 Å
• c: 18.4174 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2949.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No