Information card for entry 2003715

Structure parameters

• Chemical name: 1,7-diéthoxycarbonyl-3a-méthyl-4a-phényl- 3,5-diparanitrophényl-3a,4,4a,5-tétrahydro-3H-bis[1,2,4] triazolo[4,3-a:3',4'-d][1,5]benzodiazépine
• Formula: C37 H33 Cl3 N8 O8
• Calculated formula: C37 H33 Cl3 N8 O8
• Title of publication: 1,7-Bis(éthoxycarbonyl)-3a-méthyl-4a-phényl-3,5-bis(<i>p</i>-nitrophényl)-3a,4,4a,5-tétrahydro-3<i>H</i>-bis-[1,2,4]triazolo[4,3-<i>a</i>:3',4'-<i>d</i>][1,5]benzodiazépine, C~36~H~32~N~8~O~8~.CHCl~3~
• Authors of publication: Chiaroni, A.; Riche, C.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Lavergne, J.-P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1352 - 1355
• a: 12.044 ± 0.007 Å
• b: 12.461 ± 0.007 Å
• c: 13.73 ± 0.008 Å
• α: 104.33 ± 0.03°
• β: 94.47 ± 0.03°
• γ: 101 ± 0.03°
• Cell volume: 1943 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.111
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No