Information card for entry 2015443

Structure parameters

• Chemical name: 1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)- 1,3-dicyclohexylurea
• Formula: C28 H30 Br N3 O4
• Calculated formula: C28 H30 Br N3 O4
• SMILES: Brc1cc(c(N)c2c1C(=O)c1ccccc1C2=O)C(=O)N(C1CCCCC1)C(=O)NC1CCCCC1
• Title of publication: 1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracen-2-ylcarbonyl)-1,3-dicyclohexylurea
• Authors of publication: Li Wu; Hui-Min Liu; Wen-Tao Zhao; Wen-Qin Zhang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o435 - o437
• a: 20.725 ± 0.006 Å
• b: 9.727 ± 0.003 Å
• c: 25.306 ± 0.007 Å
• α: 90°
• β: 96.095 ± 0.004°
• γ: 90°
• Cell volume: 5073 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0797
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes