Information card for entry 2237437

Structure parameters

• Chemical name: 1,4,6,9-Tetra-<i>tert</i>-butyl-2,7-dioxatricyclo[6.3.0.0^3,6^]deca-3,8-diene
• Formula: C24 H40 O2
• Calculated formula: C24 H40 O2
• SMILES: CC([C@]12OC3=C(C[C@]3(OC2=C(C1)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
• Title of publication: 1,4,6,9-Tetra-<i>tert</i>-butyl-2,7-dioxatricyclo[6.3.0.0^3,6^]deca-3,8-diene
• Authors of publication: Sorensen, Ted S.; Humayaun Kabir, S. M; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o204
• a: 5.843 ± 0.002 Å
• b: 9.383 ± 0.003 Å
• c: 10.126 ± 0.004 Å
• α: 97.209 ± 0.012°
• β: 96.014 ± 0.013°
• γ: 100.703 ± 0.019°
• Cell volume: 536.5 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes