Information card for entry 7020632

Structure parameters

• Formula: C30 H36 B N S Si
• Calculated formula: C30 H36 B N S Si
• SMILES: s1c([Si](C)(C)C)cc2[B]([n]3c(c12)cccc3)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Impact of a dithienyl unit on photostability of N,C-chelating boron compounds.
• Authors of publication: Rao, Ying-Li; Amarne, Hazem; Lu, Jia-Sheng; Wang, Suning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 638 - 644
• a: 8.222 ± 0.0003 Å
• b: 9.0601 ± 0.0003 Å
• c: 18.3261 ± 0.0007 Å
• α: 90°
• β: 99.563 ± 0.002°
• γ: 90°
• Cell volume: 1346.18 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No