Information card for entry 2203633

Structure parameters

• Chemical name: (8aR,SS)-Dimethyl 3,5,6,7,8,8a-hexahydro-4-{[(1S)-exo-2-hydroxy-7,7- dimethylbicyclo[2.2.1]heptan-1-yl]methylsulfinyl}-1,2-naphthalenedicarboxylate
• Formula: C24 H34 O6 S
• Calculated formula: C24 H34 O6 S
• Title of publication: (8a<i>R</i>,S<i>S</i>)-Dimethyl 3,5,6,7,8,8a-hexahydro-4-{[(1<i>S</i>)-<i>exo</i>-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl]methylsulfinyl}-1,2-naphthalenedicarboxylate
• Authors of publication: Bruno, Giuseppe; Rotondo, Archimede; Nicoló, Francesco; Aversa, Maria Chiara; Barattucci, Anna; Bonaccorsi, Paola; Giannetto, Placido
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o733 - o735
• a: 6.8037 ± 0.0006 Å
• b: 7.7391 ± 0.0008 Å
• c: 11.9131 ± 0.0009 Å
• α: 84.539 ± 0.008°
• β: 74.277 ± 0.006°
• γ: 78.323 ± 0.007°
• Cell volume: 590.77 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes