Information card for entry 1506414

Structure parameters

• Chemical name: 4-Bromo-3-(1'H-indol-3'-yl)-maleimide
• Formula: C12 H7 Br N2 O2
• Calculated formula: C12 H7 Br N2 O2
• Title of publication: Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen.
• Authors of publication: Kaletas, Basak Kükrer; Joshi, Hem C.; van der Zwan, Gert; Fanti, Marianna; Zerbetto, Francesco; Goubitz, Kees; De Cola, Luisa; König, Burkhard; Williams, René M
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 42
• Pages of publication: 9443 - 9455
• a: 7.483 ± 0.001 Å
• b: 7.636 ± 0.002 Å
• c: 18.212 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1040.6 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for all reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections: 0.938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No