Information card for entry 2216164

Structure parameters

• Chemical name: 4,4-Dimethyl-2-tosyl-2,3,3a,4-tetrahydro-1H,10H- pyrrolo[3,4-c]pyrano[6,5-b]indan-10-one
• Formula: C23 H23 N O4 S
• Calculated formula: C23 H23 N O4 S
• SMILES: S(=O)(=O)(N1C[C@@H]2[C@H](C1)C1=C(OC2(C)C)c2ccccc2C1=O)c1ccc(cc1)C.S(=O)(=O)(N1C[C@H]2[C@@H](C1)C1=C(OC2(C)C)c2ccccc2C1=O)c1ccc(cc1)C
• Title of publication: 4,4-Dimethyl-2-tosyl-2,3,3a,4-tetrahydro-1<i>H</i>,10<i>H</i>-pyrrolo[3,4-<i>c</i>]pyrano[6,5-<i>b</i>]indan-10-one
• Authors of publication: K. Chinnakali; D. Sudha; M. Jayagopi; R. Raghunathan; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4438 - o4438
• a: 8.0219 ± 0.0002 Å
• b: 8.6106 ± 0.0002 Å
• c: 15.0432 ± 0.0004 Å
• α: 104.557 ± 0.001°
• β: 99.182 ± 0.001°
• γ: 93.192 ± 0.001°
• Cell volume: 987.84 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes