Information card for entry 7150309

Structure parameters

• Formula: C32 H27 N O2
• Calculated formula: C32 H27 N O2
• SMILES: [C@@]12(C(C(=O)N1CCC)(c1ccccc1)c1ccccc1)c1c([C@@H](C2=O)c2ccccc2)cccc1.[C@]12(C(C(=O)N1CCC)(c1ccccc1)c1ccccc1)c1c([C@H](C2=O)c2ccccc2)cccc1
• Title of publication: On the reaction of diphenylketene with isocyanides.
• Authors of publication: Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 23
• Pages of publication: 4246 - 4251
• a: 9.6597 ± 0.0002 Å
• b: 14.5094 ± 0.0002 Å
• c: 17.0652 ± 0.0003 Å
• α: 90°
• β: 95.093 ± 0.0006°
• γ: 90°
• Cell volume: 2382.35 ± 0.07 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0614
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No