Information card for entry 2226301

Structure parameters

• Chemical name: (3a<i>RS</i>,4<i>SR</i>,7<i>RS</i>,7a<i>SR</i>)-2-(Tricyclo[3.3.1.1^3,7^]decan- 1-yl)-4,5,6,7-tetrahydro-4,7-epoxyisoindoline-1,3-dione
• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: N1(C(=O)[C@H]2[C@H]3O[C@@H]([C@H]2C1=O)CC3)C12CC3CC(C2)CC(C1)C3
• Title of publication: (3a<i>RS</i>,4<i>SR</i>,7<i>RS</i>,7a<i>SR</i>)-2-(Tricyclo[3.3.1.1^3,7^]decan-1-yl)-4,5,6,7-tetrahydro-4,7-epoxyisoindoline-1,3-dione
• Authors of publication: Tan, Zaiyou; Luo, Lin; Zhu, Erjia; Yan, Ruisi; Lin, Zhuohui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1374
• a: 12.2216 ± 0.0004 Å
• b: 12.3465 ± 0.0004 Å
• c: 16.1646 ± 0.0006 Å
• α: 77.057 ± 0.003°
• β: 89.906 ± 0.003°
• γ: 69.19 ± 0.003°
• Cell volume: 2213.95 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes