Information card for entry 1515324

Structure parameters

• Formula: C17 H20 Br N
• Calculated formula: C17 H20 Br N
• SMILES: Brc1ccc(/C=N/C23CC4CC(C2)CC(C3)C4)cc1
• Title of publication: Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.
• Authors of publication: Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2012
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 908 - 913
• a: 27.68 ± 0.003 Å
• b: 6.5071 ± 0.0003 Å
• c: 16.548 ± 0.002 Å
• α: 90°
• β: 108.15 ± 0.008°
• γ: 90°
• Cell volume: 2832.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No