Information card for entry 4302844

Structure parameters

• Formula: C24 H30 B2 N2 O2
• Calculated formula: C24 H30 B2 N2 O2
• SMILES: [B]1(CC)(Oc2cc3c(cc2c2cccc[n]12)O[B](CC)([n]1c3cccc1)CC)CC
• 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: 7.2455 ± 0.0014 Å
• b: 7.3683 ± 0.0015 Å
• c: 11.081 ± 0.002 Å
• α: 82.68 ± 0.03°
• β: 77.3 ± 0.03°
• γ: 68.24 ± 0.03°
• Cell volume: 535.3 ± 0.2 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: 0.199
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No