Information card for entry 2226394

Structure parameters

• Chemical name: Diethyl 7,8,18,19-tetramethyl-2,13- dioxohexacyclo[10.10.2.0^3,24^.0^5,10^.0^14,23^.0^16,21^]tetracosa- 5,7,9,16,18,20-hexaene-23,24-dicarboxylate
• Formula: C30 H34 N4 O6
• Calculated formula: C30 H34 N4 O6
• SMILES: O=C1N2Cc3cc(C)c(C)cc3CN3C(=O)N4C(N1Cc1c(C4)cc(c(c1)C)C)(C23C(=O)OCC)C(=O)OCC
• Title of publication: Diethyl 7,8,18,19-tetramethyl-2,13-dioxohexacyclo[10.10.2.0^3,24^.0^5,10^.0^14,23^.0^16,21^]tetracosa-5,7,9,16,18,20-hexaene-23,24-dicarboxylate
• Authors of publication: Wang, Jungang; Xiang, Jiacheng; Cao, Liping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1681
• a: 23.4988 ± 0.0012 Å
• b: 11.6005 ± 0.0006 Å
• c: 21.2685 ± 0.0011 Å
• α: 90°
• β: 107.145 ± 0.001°
• γ: 90°
• Cell volume: 5540.1 ± 0.5 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: 0.1045
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes