Information card for entry 7121986

Structure parameters

• Formula: C30 H38 B F2 N3 Si2
• Calculated formula: C30 H38 B F2 N3 Si2
• Title of publication: Disilanylene-bridged BODIPY-based D-σ-A architectures: a novel promising series of NLO chromophores.
• Authors of publication: Zheng, Xianghui; Du, Wei; Gai, Lizhi; Xiao, Xuqiong; Li, Zhifang; Xu, Liwen; Tian, Yupeng; Kira, Mitsuo; Lu, Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 64
• Pages of publication: 8834 - 8837
• a: 11.115 ± 0.005 Å
• b: 11.547 ± 0.005 Å
• c: 13.669 ± 0.007 Å
• α: 69.556 ± 0.008°
• β: 82.496 ± 0.008°
• γ: 79.484 ± 0.009°
• Cell volume: 1612 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0808
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No