Information card for entry 7152063

Structure parameters

• Formula: C25 H25.2 N O4.1 S2
• Calculated formula: C25 H25 N O4.1 S2
• Title of publication: Decarboxylative Claisen rearrangement reactions: synthesis and reactivity of alkylidene-substituted indolines.
• Authors of publication: Camp, Jason E.; Craig, Donald; Funai, Kiyohiko; White, Andrew J. P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 7904 - 7912
• a: 9.1743 ± 0.0003 Å
• b: 9.9834 ± 0.0004 Å
• c: 13.0708 ± 0.0004 Å
• α: 79.253 ± 0.003°
• β: 76.645 ± 0.003°
• γ: 86.29 ± 0.003°
• Cell volume: 1144.07 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0569
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No