Information card for entry 7150308

Structure parameters

• Formula: C33 H29 N O2
• Calculated formula: C33 H29 N O2
• SMILES: C1(C(OC(O1)=C(c1ccccc1)c1ccccc1)=NC(C)(C)C)=C(c1ccccc1)c1ccccc1
• 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: 15.3223 ± 0.0004 Å
• b: 12.7909 ± 0.0003 Å
• c: 14.0095 ± 0.0005 Å
• α: 90°
• β: 104.82 ± 0.0012°
• γ: 90°
• Cell volume: 2654.34 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No