Information card for entry 7204535

Structure parameters

• Formula: C35.67 H33.33 N1.33 O1.33
• Calculated formula: C35 H31 N O
• SMILES: N1(C[C@H]1C(OC)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects
• Authors of publication: Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2827
• a: 27.263 ± 0.002 Å
• b: 27.263 ± 0.002 Å
• c: 9.4764 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6099.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No