Information card for entry 2220193

Structure parameters

• Chemical name: 2,4-Bis(2-bromophenyl)-3-azabicyclo[3.3.1]nonan-9-one
• Formula: C20 H19 Br2 N O
• Calculated formula: C20 H19 Br2 N O
• SMILES: Brc1c([C@@H]2[C@@H]3CCC[C@H]([C@H](c4c(Br)cccc4)N2)C3=O)cccc1
• Title of publication: 2,4-Bis(2-bromophenyl)-3-azabicyclo[3.3.1]nonan-9-one
• Authors of publication: Parthiban, P.; Ramkumar, V.; Kim, Min Sung; Son, Se Mo; Jeong, Yeon Tae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2385
• a: 7.8389 ± 0.0003 Å
• b: 10.577 ± 0.0003 Å
• c: 11.0274 ± 0.0003 Å
• α: 101.099 ± 0.002°
• β: 93.725 ± 0.002°
• γ: 97.399 ± 0.001°
• Cell volume: 885.94 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes