Information card for entry 2202607

Structure parameters

• Chemical name: 8,8'-dichloro-1,1',5,5'-tetrahydro-10,10'-bipyrrolo[1,2-b] isoquinolin-3,3'(2H,2'H)-dione
• Formula: C24 H18 Cl2 N2 O2
• Calculated formula: C24 H18 Cl2 N2 O2
• SMILES: Clc1cc2C(=C3N(Cc2cc1)C(=O)CC3)C1=C2N(Cc3c1cc(Cl)cc3)C(=O)CC2
• Title of publication: 8,8'-Dichloro-1,1',5,5'-tetrahydro-10,10'-bipyrrolo[1,2-<i>b</i>]isoquinoline-3,3'(2<i>H</i>,2'<i>H</i>)-dione
• Authors of publication: Camus, Fabrice; Norberg, Bernadette; Bourry, Anne; Akué-Gédu, Rufine; Rigo, Benoît; Durant, François
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1002 - o1003
• a: 8.113 ± 0.001 Å
• b: 12.089 ± 0.001 Å
• c: 20.181 ± 0.002 Å
• α: 90°
• β: 92.79 ± 0.03°
• γ: 90°
• Cell volume: 1977 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes