Information card for entry 4118614

Structure parameters

• Formula: C27 H23 Br O2
• Calculated formula: C27 H23 Br O2
• SMILES: Brc1ccc(C2=CCOC(C3=C2CCCO3)(c2ccccc2)c2ccccc2)cc1
• Title of publication: One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone
• Authors of publication: Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15331 - 15342
• a: 9.0137 ± 0.0013 Å
• b: 11.1334 ± 0.0016 Å
• c: 11.4146 ± 0.0016 Å
• α: 105.241 ± 0.003°
• β: 101.586 ± 0.003°
• γ: 98.3 ± 0.003°
• Cell volume: 1058.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.026
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No