Information card for entry 2201870

Structure parameters

• Chemical name: 2a'-Chloro-3,8-dioxo-1',2',2a',8a'-tetrahydrodispiro[cyclopropane- 1,1'-cyclobuta[b]napthalene-2',1"-cyclopropane]
• Formula: C16 H13 Cl O2
• Calculated formula: C16 H13 Cl O2
• Title of publication: 2a'-Chloro-3,8-dioxo-1',2',2a',8a'-tetrahydrodispiro[cyclopropane-1,1'-cyclobuta[<i>b</i>]napthalene-2',1''-cyclopropane]
• Authors of publication: Lei Wang; Anwar Usman; Hoong-Kun Fun; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o106 - o107
• a: 8.2794 ± 0.0002 Å
• b: 15.3344 ± 0.0002 Å
• c: 10.259 ± 0.0002 Å
• α: 90°
• β: 96.639 ± 0.001°
• γ: 90°
• Cell volume: 1293.74 ± 0.04 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes