Information card for entry 7114395

Structure parameters

• Formula: C30 H28 N4 O4
• Calculated formula: C30 H28 N4 O4
• SMILES: O=N(=O)c1ccc(N/N=C(\C)c2ccc(cc2)C2=CC(C=C3C2(Cc2c3cccc2)C)(C)C)c(N(=O)=O)c1
• Title of publication: Tandem intermolecular Suzuki coupling/intramolecular vinyl triflate‒arene couplingElectronic supplementary information (ESI) available: experimental and crystallographic data for compound 5. See http://www.rsc.org/suppdata/cc/b2/b200692h/
• Authors of publication: Willis, Michael C.; Claverie, Christelle K.; Mahon, Mary F.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 832
• a: 9.204 ± 0.0001 Å
• b: 16.193 ± 0.0002 Å
• c: 34.344 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5118.64 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No