Information card for entry 4021891

Structure parameters

• Formula: C32 H24 N2 O2
• Calculated formula: C32 H24 N2 O2
• SMILES: O(C)c1ccc(c2cccnc12)c1ccc(c2ccc(c3ccc(c4ncccc34)OC)cc2)cc1
• Title of publication: Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence
• Authors of publication: Yi Cui; Suning Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6485 - 6496
• a: 8.7399 ± 0.0018 Å
• b: 8.9692 ± 0.0018 Å
• c: 9.1427 ± 0.0019 Å
• α: 62.293 ± 0.004°
• β: 65.552 ± 0.004°
• γ: 69.368 ± 0.004°
• Cell volume: 566.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No