Information card for entry 2202622

Structure parameters

• Formula: C26 H22 Cl2 N4 O2
• Calculated formula: C26 H22 Cl2 N4 O2
• SMILES: Clc1ccc(C2=NO[C@]3(N2c2cc(ccc2N2C(=NO[C@@]2(C3)C)c2ccc(Cl)cc2)C)C)cc1.Clc1ccc(C2=NO[C@@]3(N2c2cc(ccc2N2C(=NO[C@]2(C3)C)c2ccc(Cl)cc2)C)C)cc1
• Title of publication: Stéréochimie du 1,7-bis(4-chlorophényl)-3a,4a,10-triméthyl-3a,4a,8,13-tétrahydro-4<i>H</i>-bis[1,2,4-oxadiazolo][4,5-<i>a</i>:5',4'-<i>d</i>][1,5]benzodiazépine
• Authors of publication: Nabih, K.; Baouid, A.; Hasnaoui, A.; Kenz, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1774 - o1776
• a: 13.1829 ± 0.0005 Å
• b: 12.3225 ± 0.0005 Å
• c: 15.2605 ± 0.0005 Å
• α: 90°
• β: 106.861 ± 0.001°
• γ: 90°
• Cell volume: 2372.44 ± 0.15 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: 0.0785
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes