Information card for entry 2217937

Structure parameters

• Chemical name: 9-(4-Methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2H-xanthene- 1,8(5H,9H)-dione
• Formula: C24 H28 O4
• Calculated formula: C24 H28 O4
• SMILES: O=C1C2=C(OC3=C(C(=O)CC(C3)(C)C)C2c2ccc(OC)cc2)CC(C1)(C)C
• Title of publication: 9-(4-Methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione
• Authors of publication: Odabaşoğlu, Mustafa; Kaya, Muharrem; Yıldırır, Yılmaz; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o681
• a: 9.346 ± 0.005 Å
• b: 10.314 ± 0.005 Å
• c: 11.733 ± 0.005 Å
• α: 71.089 ± 0.005°
• β: 84.253 ± 0.005°
• γ: 73.386 ± 0.005°
• Cell volume: 1025.2 ± 0.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes