Information card for entry 7119611

Structure parameters

• Formula: C30 H34 N2 O9
• Calculated formula: C30 H34 N2 O9
• SMILES: O(C(=O)c1ccc(N(=O)=O)cc1)[C@H]1[C@H]([C@@]2(O)C[C@@H]3C([C@]2(CC3)C)(C)C)CCC[C@H]1OC(=O)c1ccc(N(=O)=O)cc1
• Title of publication: (+)-Camphor-mediated kinetic resolution of allylalanes: a strategy towards enantio-enriched cyclohex-2-en-1-ylalane.
• Authors of publication: Coffinet, Michaël; Massicot, Fabien; Joseph, Jomy; Behr, Jean-Bernard; Jaroschik, Florian; Vasse, Jean-Luc
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 111 - 114
• a: 9.7362 ± 0.0003 Å
• b: 11.7081 ± 0.0003 Å
• c: 13.2219 ± 0.0005 Å
• α: 90 ± 0°
• β: 111.371 ± 0.001°
• γ: 90 ± 0°
• Cell volume: 1403.56 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No