Information card for entry 7038317

Structure parameters

• Formula: C23 H17 N3 O2
• Calculated formula: C23 H17 N3 O2
• SMILES: O=N(=O)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
• Title of publication: Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions
• Authors of publication: Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar
• Journal of publication: Dalton Transactions
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5196 - 5209
• a: 17.2917 ± 0.0006 Å
• b: 10.6763 ± 0.0004 Å
• c: 39.6733 ± 0.0015 Å
• α: 90°
• β: 91.757 ± 0.004°
• γ: 90°
• Cell volume: 7320.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0547
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No