Information card for entry 7155790

Structure parameters

• Formula: C48 H58 B2 N2 S2 Si2
• Calculated formula: C48 H58 B2 N2 S2 Si2
• Title of publication: Syn-BN-Heteroacence Cored Conjugated Oligomers with Finely Tuned Blue-Violet Luminescent Properties
• Authors of publication: Zhang, Wanzheng; Fu, Yubin; Qiang, Peirong; Hunger, Jens; Bi, Shuai; Zhang, Wen-Bei; Zhang, Fan
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.3587 ± 0.0003 Å
• b: 16.6395 ± 0.0005 Å
• c: 17.2793 ± 0.0006 Å
• α: 97.127 ± 0.002°
• β: 98.68 ± 0.002°
• γ: 103.468 ± 0.002°
• Cell volume: 2278.52 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No