Information card for entry 7150311

Structure parameters

• Formula: C32 H27 N O2
• Calculated formula: C32 H27 N O2
• SMILES: C1(C(OC(O1)=C(c1ccccc1)c1ccccc1)=NCCC)=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: 17.7513 ± 0.0003 Å
• b: 5.9105 ± 0.0001 Å
• c: 23.5922 ± 0.0005 Å
• α: 90°
• β: 96.6068 ± 0.0009°
• γ: 90°
• Cell volume: 2458.83 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0569
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No