Information card for entry 2201511

Structure parameters

• Chemical name: 2a',8a'-Dichloro-3,8-dioxo-1',2',2a',8a'-tetrahydrodispiro[cyclopropane- 1,1'- cyclobuta[b]napthalene-2',1"-cyclopropane]
• Formula: C16 H12 Cl2 O2
• Calculated formula: C16 H12 Cl2 O2
• SMILES: Cl[C@@]12C(=O)c3ccccc3C(=O)[C@]1(Cl)C1(C32CC3)CC1
• Title of publication: 2a',8a'-Dichloro-3,8-dioxo-1',2',2a',8a'-tetrahydrodispiro[cyclopropane-1,1'-cyclobuta[<i>b</i>]naphthalene-2',1''-cyclopropane]
• Authors of publication: Anwar Usman; Hoong-Kun Fun; Lei Wang; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1463 - o1465
• a: 7.243 ± 0.0001 Å
• b: 10.0455 ± 0.0002 Å
• c: 10.0831 ± 0.0002 Å
• α: 85.47°
• β: 73.306 ± 0.001°
• γ: 69.401 ± 0.001°
• Cell volume: 657.59 ± 0.02 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes