Information card for entry 1571964

Structure parameters

• Chemical name: 6-[4-(<i>tert</i>-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane
• Formula: C19 H30 O2 Si
• Calculated formula: C19 H30 O2 Si
• SMILES: [Si](Oc1ccc(cc1)C1CCC2(OC2)CC1)(C)(C)C(C)(C)C
• Title of publication: 6-[4-(tert-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane
• Authors of publication: Wetzel, Edward A.; Lindeman, Sergey; Donaldson, William A.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 6
• Pages of publication: x240590
• a: 7.3673 ± 0.0003 Å
• b: 11.2285 ± 0.0004 Å
• c: 12.5778 ± 0.0005 Å
• α: 104.974 ± 0.004°
• β: 101.964 ± 0.004°
• γ: 103.46 ± 0.004°
• Cell volume: 937.1 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0484
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No