Information card for entry 2008702

Structure parameters

• Chemical name: dimethyl 6,6,12,12-tetramethoxy-5,11-dioxotetracyclo[6.2.2.0^3,10^.0^4,9^] dodecane-2,9-diyldiacrylate
• Formula: C24 H28 O10
• Calculated formula: C24 H28 O10
• SMILES: O=C1C(OC)(OC)[C@@H]2[C@@]3([C@@H]4[C@H]1[C@@]1([C@H]2C(OC)(OC)C(=O)[C@H]3[C@H]41)/C=C/C(=O)OC)/C=C/C(=O)OC.O=C1C(OC)(OC)[C@H]2[C@]3([C@H]4[C@@H]1[C@]1([C@@H]2C(OC)(OC)C(=O)[C@@H]3[C@@H]41)/C=C/C(=O)OC)/C=C/C(=O)OC
• Title of publication: An asatone-type neolignan and its photocage product
• Authors of publication: Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1144 - 1147
• a: 15.356 ± 0.003 Å
• b: 8.659 ± 0.003 Å
• c: 17.271 ± 0.004 Å
• α: 90°
• β: 94.31 ± 0.02°
• γ: 90°
• Cell volume: 2290 ± 1.1 ų
• Cell temperature: 248 K
• Ambient diffraction temperature: 248 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.571
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No