Information card for entry 7115782

Structure parameters

• Formula: C11 H10 B Br F2 N2
• Calculated formula: C11 H10 B Br F2 N2
• 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: 12.4626 ± 0.0006 Å
• b: 6.6321 ± 0.0003 Å
• c: 13.828 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1142.93 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No