Information card for entry 7118773

Structure parameters

• Formula: C28 H19 B N
• Calculated formula: C28 H19 B N
• SMILES: N1c2c(C=C3C(c4ccccc4)=C(c4c(B13)cccc4)c1ccccc1)cccc2
• Title of publication: The synthesis of BN-embedded tetraphenes and their photophysical properties.
• Authors of publication: Huang, Huanan; Pan, Zexiong; Cui, Chunming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4227 - 4230
• a: 11.899 ± 0.002 Å
• b: 13.11 ± 0.003 Å
• c: 18.036 ± 0.004 Å
• α: 73.51 ± 0.03°
• β: 89.05 ± 0.03°
• γ: 64.38 ± 0.03°
• Cell volume: 2414.2 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1141
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No