Information card for entry 2226448

Structure parameters

• Chemical name: Dispiro[cyclopropane-1,5'-<i>endo</i>-tricyclo[5.2.1.0^2,6^]deca-3,8-diene- 10',1''-cyclopropane]
• Formula: C14 H16
• Calculated formula: C14 H16
• SMILES: [C@H]12[C@@H]3C=CC4([C@@H]3[C@H](C=C1)C12CC1)CC4.[C@@H]12[C@H]3C=CC4([C@H]3[C@@H](C=C1)C12CC1)CC4
• Title of publication: Dispiro[cyclopropane-1,5'-<i>endo</i>-tricyclo[5.2.1.0^2,6^]deca-3,8-diene-10',1''-cyclopropane]
• Authors of publication: Grubba, Rafał; Ponikiewski, Łukasz; Pikies, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1648
• a: 6.4079 ± 0.0005 Å
• b: 8.6355 ± 0.0008 Å
• c: 10.7216 ± 0.001 Å
• α: 68.488 ± 0.009°
• β: 81.625 ± 0.007°
• γ: 73.351 ± 0.008°
• Cell volume: 528.27 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes