Information card for entry 4302843

Structure parameters

• Formula: C48 H46 B2 N2 O4
• Calculated formula: C48 H46 B2 N2 O4
• SMILES: [B]1(Oc2c(c3cccc[n]13)cc1c(c3cccc[n]3[B](c3ccccc3)(O1)c1ccccc1)c2)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Luminescent Boron-Contained Ladder-Type π-Conjugated Compounds
• Authors of publication: Zuolun Zhang; Hai Bi; Yu Zhang; Dandan Yao; Hongze Gao; Yan Fan; Hongyu Zhang; Yue Wang; Yanping Wang; Zhenyu Chen; Dongge Ma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7230 - 7236
• a: 8.2475 ± 0.0016 Å
• b: 10.362 ± 0.002 Å
• c: 13.198 ± 0.003 Å
• α: 81.85 ± 0.03°
• β: 80.81 ± 0.03°
• γ: 82.81 ± 0.03°
• Cell volume: 1096.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.4108
• Residual factor for significantly intense reflections: 0.2152
• Weighted residual factors for significantly intense reflections: 0.4491
• Weighted residual factors for all reflections included in the refinement: 0.5542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No