Information card for entry 7115784

Structure parameters

• Formula: C16 H19 B F2 N2 Si
• Calculated formula: C16 H19 B F2 N2 Si
• SMILES: [Si](C#Cc1n2[B]([n]3c(cc(c3=Cc2cc1)C)C)(F)F)(C)(C)C
• Title of publication: Two-color emissive probes for click reactions
• Authors of publication: Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12694
• a: 23.5959 ± 0.0003 Å
• b: 11.5341 ± 0.0003 Å
• c: 12.3552 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3362.56 ± 0.17 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No