Information card for entry 7115712

Structure parameters

• Formula: C33 H27 Br N2 O2
• Calculated formula: C33 H26 Br N2 O2
• Title of publication: Organocatalytic enantioselective and (Z)-selective allylation of 3-indolylmethanol via hydrogen-bond activation
• Authors of publication: Yan Liu; Hong-Hao Zhang; Yu-Chen Zhang; Yan Jiang; Feng Shi; Shu-Jiang Tu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12054
• a: 8.9032 ± 0.0006 Å
• b: 11.1649 ± 0.0007 Å
• c: 27.772 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.186
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No