Information card for entry 2003397

Structure parameters

• Chemical name: N-Phenyl-4-oxo-tricyclo-3-aza-10-oxa[5.2.1.0^1,5^]-dec-8-ene- 6-carboxylic acid
• Formula: C17 H19 N O5 S
• Calculated formula: C17 H19 N O5 S
• Title of publication: 3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated
• Authors of publication: Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 729 - 732
• a: 7.813 ± 0.002 Å
• b: 11.83 ± 0.002 Å
• c: 19.022 ± 0.006 Å
• α: 90°
• β: 100.61 ± 0.03°
• γ: 90°
• Cell volume: 1728.1 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for all reflections: 0.74
• Goodness-of-fit parameter for significantly intense reflections: 0.74
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No