Information card for entry 2011955

Structure parameters

• Common name: 7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
• Chemical name: 7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
• Formula: C14 H18 O2 S
• Calculated formula: C14 H18 O2 S
• SMILES: O[C@]1(CCC[C@]2(C1)OCCS2)c1ccccc1.O[C@@]1(CCC[C@@]2(C1)OCCS2)c1ccccc1
• Title of publication: 7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers
• Authors of publication: Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 577 - 579
• a: 22.136 ± 0.008 Å
• b: 10.144 ± 0.002 Å
• c: 24.923 ± 0.006 Å
• α: 90°
• β: 114.17 ± 0.02°
• γ: 90°
• Cell volume: 5106 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes