Information card for entry 2224030

Structure parameters

• Chemical name: 10,10'-Methylenebis[2,3-dihydro-1<i>H</i>- benzo[<i>e</i>]pyrrolo[1,2-<i>a</i>][1,4]diazepine- 5,11(10<i>H</i>,11a<i>H</i>)-dione] dihydrate
• Formula: C25 H28 N4 O6
• Calculated formula: C25 H28 N4 O6
• Title of publication: 10,10'-Methylenebis[2,3-dihydro-1<i>H</i>-benzo[<i>e</i>]pyrrolo[1,2-<i>a</i>][1,4]diazepine-5,11(10<i>H</i>,11a<i>H</i>)-dione] dihydrate
• Authors of publication: Benzeid, Hanane; Saffon, Nathalie; Garrigues, Bernard; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2684
• a: 11.9901 ± 0.0002 Å
• b: 11.9901 Å
• c: 13.6054 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1693.9 ± 0.04 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes