Information card for entry 8104647

Structure parameters

• Formula: C39 H38 N2 O9
• Calculated formula: C39 H38 N2 O9
• Title of publication: Synthesis and crystal structure of di-tert-butyl 1″-acetyl-2,2″,9′-trioxo-4a′,9a′-dihydro-1′H,3′H,9′H-dispiro[indoline-3,2′-xanthene-4′,3″-indoline]-1,3′-dicarboxylate, C39H38N2O9
• Authors of publication: Li, Wu-Wu; Liu, Xiong-Li; Li, Xiao-Peng; Zheng, Hao-Nan; Weng, A-Tong; Feng, Ling-Ying; Liu, Lu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 995 - 997
• a: 9.9846 ± 0.0006 Å
• b: 31.4308 ± 0.0013 Å
• c: 11.5739 ± 0.0006 Å
• α: 90°
• β: 110.712 ± 0.007°
• γ: 90°
• Cell volume: 3397.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No