Information card for entry 2008895

Structure parameters

• Chemical name: 1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-9-(2-nitrophenyl)xanthen-1,8- dione
• Formula: C23 H25 N O5
• Calculated formula: C23 H25 N O5
• SMILES: N(=O)(=O)c1c(C2C3=C(CC(CC3=O)(C)C)OC3=C2C(=O)CC(C3)(C)C)cccc1
• Title of publication: Two tetramethylxanthenediones
• Authors of publication: Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1515 - 1517
• a: 26.581 ± 0.002 Å
• b: 10.094 ± 0.001 Å
• c: 19.624 ± 0.002 Å
• α: 90°
• β: 128.75 ± 0.01°
• γ: 90°
• Cell volume: 4106.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.156
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 0.74
• Goodness-of-fit parameter for significantly intense reflections: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No