Information card for entry 2204114

Structure parameters

• Chemical name: (7S)-N-(4-Phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl)-2,10-camphorsultam
• Formula: C26 H31 N O3 S
• Calculated formula: C26 H31 N O3 S
• SMILES: S1(=O)(=O)N([C@H]2[C@]3(C1)CC[C@@H](C3(C)C)C2)C(=O)C1=C([C@H]2[C@@H]3CC[C@H]([C@@H]12)C3)c1ccccc1
• Title of publication: (7<i>S</i>)-<i>N</i>-(4-Phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl)-2,10-camphorsultam
• Authors of publication: Lough, Alan J.; Villeneuve, Karine; Tam, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1566 - o1567
• a: 7.2089 ± 0.0001 Å
• b: 11.6317 ± 0.0002 Å
• c: 26.3219 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2207.14 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes