Information card for entry 7117101

Structure parameters

• Formula: C15 H14 Br N
• Calculated formula: C15 H14 Br N
• SMILES: [N+]1(c2ccccc2)=Cc2ccccc2CC1.[Br-]
• Title of publication: No photocatalyst required – versatile, visible light mediated transformations with polyhalomethanes
• Authors of publication: Johannes F. Franz; Wolfgang B. Kraus; Kirsten Zeitler
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8280
• a: 19.318 ± 0.0005 Å
• b: 7.18486 ± 0.00015 Å
• c: 19.6634 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2729.22 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No