Information card for entry 7150312

Structure parameters

• Formula: C36 H27 N O2
• Calculated formula: C36 H27 N O2
• SMILES: C1(C(OC(O1)=C(c1ccccc1)c1ccccc1)=NCc1ccccc1)=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: 22.3209 ± 0.0006 Å
• b: 5.822 ± 0.0002 Å
• c: 22.4854 ± 0.0007 Å
• α: 90°
• β: 116.634 ± 0.0012°
• γ: 90°
• Cell volume: 2611.97 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No