Information card for entry 2008317

Structure parameters

• Chemical name: 1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione
• Formula: C24 H24 S
• Calculated formula: C24 H24 S
• SMILES: S(C1(c2c(c3ccccc13)cccc2)c1c(cccc1)C(C)(C)C)C
• Title of publication: <i>ap</i>-9-(<i>o-tert</i>-Butylphenyl)-9-methylthiofluorene, the first isolated <i>ap</i> rotamer of a 9-substituted 9-(<i>o-tert</i>-butylphenyl)fluorene
• Authors of publication: Meyers, Cal Y.; Hou, Yuqing; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 626 - 628
• a: 12.014 ± 0.006 Å
• b: 9.8 ± 0.002 Å
• c: 16.068 ± 0.003 Å
• α: 90°
• β: 93.8 ± 0.03°
• γ: 90°
• Cell volume: 1887.6 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No