Information card for entry 2215526

Structure parameters

• Chemical name: 8-chloro-11-[4-(8-chloro-5H-dibenzo[<i>b,e</i>][1,4] diazepin-11-yl)piperazin-1-yl]-5H-dibenzo[<i>b,e</i>][1,4]diazepine‒ acetone‒pentane (2/1/1)
• Formula: C68 H66 Cl4 N12 O
• Calculated formula: C68 H66 Cl4 N12 O
• Title of publication: Geometric forms of 8-chloro-11-[4-(8-chloro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>][1,4]diazepin-11-yl)piperazin-1-yl]-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>][1,4]diazepine‒acetone‒pentane (2/1/1)
• Authors of publication: Capuano, Ben; Crosby, Ian T.; Fallon, Gary D.; Forsyth, Craig M.; Lloyd, Edward J.; Podloucka, Anna; Yuriev, Elizabeth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4034 - o4034
• a: 31.3716 ± 0.0002 Å
• b: 11.3509 ± 0.0002 Å
• c: 22.703 ± 0.0003 Å
• α: 90°
• β: 131.147 ± 0.001°
• γ: 90°
• Cell volume: 6087.78 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1584
• 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: Yes
• Has Fobs: Yes