Information card for entry 2224927

Structure parameters

• Chemical name: Diethyl 2-<i>tert</i>-butyl-4,11-dioxo-2,3-dihydro-<i>cis</i>- 1<i>H</i>,5<i>H</i>,10<i>H</i>-2,3a,4a,10a,11a- pentaazabenzo[<i>f</i>]indeno[2,1,7<i>ija</i>]azulene-11b,11c-dicarboxylate
• Formula: C24 H31 N5 O6
• Calculated formula: C24 H31 N5 O6
• Title of publication: Diethyl 2-<i>tert</i>-butyl-4,11-dioxo-2,3-dihydro-<i>cis</i>-1<i>H</i>,5<i>H</i>,10<i>H</i>-2,3a,4a,10a,11a-pentaazabenzo[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate
• Authors of publication: Zhu, Yanping; Sun, Yichong; Qiu, Mingqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o289
• a: 10.7133 ± 0.0014 Å
• b: 11.1013 ± 0.0015 Å
• c: 11.3352 ± 0.0015 Å
• α: 100.493 ± 0.002°
• β: 105.438 ± 0.002°
• γ: 102.445 ± 0.002°
• Cell volume: 1227.2 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes