Information card for entry 2211817

Structure parameters

• Chemical name: Diethyl 2,13-dioxo-16,18-dioxa-1,3,12,14- tetraazapentacyclo[10.7.2.0^3,21^.0^5,10^.0^14,20^]undeca-5,7,9-triene- 20,21-dicarboxylate
• Formula: C21 H24 N4 O8
• Calculated formula: C21 H24 N4 O8
• Title of publication: Diethyl 2,13-dioxo-16,18-dioxa-1,3,12,14-tetraazapentacyclo[10.7.2.0^3,21^.0^5,10^.0^14,20^]undeca-5,7,9-triene-20,21-dicarboxylate
• Authors of publication: Bao-Han Zhou; Li-Ping Cao; Yu-Zhou Wang; Meng Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o65 - o66
• a: 8.4954 ± 0.0008 Å
• b: 15.0557 ± 0.0013 Å
• c: 17.2379 ± 0.0016 Å
• α: 90°
• β: 91.541 ± 0.002°
• γ: 90°
• Cell volume: 2204 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0843
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes