Information card for entry 4103068

Structure parameters

• Formula: C24 H21 N O
• Calculated formula: C24 H21 N O
• SMILES: O=C1N2c3ccccc3[C@H]3c4ccccc4C[C@H]3[C@H]2[C@@H]2[C@@H]3C=C[C@H]([C@H]12)C3
• Title of publication: Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation
• Authors of publication: Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12832 - 12834
• a: 8.7288 ± 0.0003 Å
• b: 11.5872 ± 0.0004 Å
• c: 17.581 ± 0.0006 Å
• α: 90°
• β: 103.441 ± 0.0004°
• γ: 90°
• Cell volume: 1729.48 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No