Information card for entry 7115785

Structure parameters

• Formula: C16 H19 B F2 N2 Si
• Calculated formula: C16 H19 B F2 N2 Si
• SMILES: [Si](C#Cc1ccn2[B](F)(F)[n]3c(=Cc12)c(cc3C)C)(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: 7.0599 ± 0.0004 Å
• b: 9.2121 ± 0.0007 Å
• c: 13.9179 ± 0.0007 Å
• α: 88.475 ± 0.003°
• β: 76.337 ± 0.004°
• γ: 72.777 ± 0.004°
• Cell volume: 839.2 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No