Information card for entry 2234983

Structure parameters

• Chemical name: (<i>E</i>)-3,3,6,6-Tetramethyl-9-(2-nitrostyryl)-3,4,5,6,7,9-hexahydro- 1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione
• Formula: C25 H27 N O5
• Calculated formula: C25 H27 N O5
• SMILES: O1C2=C(C(C3=C1CC(CC3=O)(C)C)/C=C/c1ccccc1N(=O)=O)C(=O)CC(C2)(C)C
• Title of publication: (<i>E</i>)-3,3,6,6-Tetramethyl-9-(2-nitrostyryl)-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione
• Authors of publication: Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Lee, Ki Soo; Cha, Joo Hwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1947
• a: 33.312 ± 0.003 Å
• b: 9.4144 ± 0.0006 Å
• c: 14.4581 ± 0.001 Å
• α: 90°
• β: 102.393 ± 0.0019°
• γ: 90°
• Cell volume: 4428.6 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes