Information card for entry 8102278

Structure parameters

• Chemical name: 2,6-Bis-(4-bromo-benzyl)-4,8-dioxo-tetrahydro-2,3a,4a,6,7a,8a-hexaaza- cyclopenta[def]fluorene-8b,8c-dicarboxylic acid diethyl ester
• Formula: C28 H30 Br2 N6 O6
• Calculated formula: C28 H30 Br2 N6 O6
• Title of publication: Crystal structure of 2,6-bis-(4-bromo-benzyl)-4,8-dioxotetrahydro-2,3a,4a,6,7a,8a-hexaaza-cyclopenta[def]fluorene-8b,8c-dicarboxylic acid diethyl ester, C28H30Br2N6O6
• Authors of publication: Sheng-Li Hu; Jing Zheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 239
• a: 15.1641 ± 0.0008 Å
• b: 12.85 ± 0.0007 Å
• c: 16.0287 ± 0.0009 Å
• α: 90°
• β: 112.808 ± 0.001°
• γ: 90°
• Cell volume: 2879.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No