Information card for entry 2224891

Structure parameters

• Chemical name: 2,4,6,8-Tetrakis(4-bromophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
• Formula: C31 H24 Br4 N2 O
• Calculated formula: C31 H24 Br4 N2 O
• SMILES: O=C1[C@@H]2[C@H](N[C@H]([C@H]1[C@@H](N[C@@H]2c1ccc(cc1)Br)c1ccc(cc1)Br)c1ccc(cc1)Br)c1ccc(cc1)Br
• Title of publication: 2,4,6,8-Tetrakis(4-bromophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
• Authors of publication: Loh, Wan-Sin; Fun, Hoong-Kun; Sarveswari, S.; Vijayakumar, V.; Reddy, B. Palakshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o265 - o266
• a: 14.7409 ± 0.0005 Å
• b: 27.7762 ± 0.001 Å
• c: 7.1538 ± 0.0002 Å
• α: 90°
• β: 101.067 ± 0.002°
• γ: 90°
• Cell volume: 2874.62 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes