Information card for entry 2001232

Structure parameters

• Formula: C17 H21 N O2
• Calculated formula: C19 H29 N O2
• Title of publication: Structure of 2-(2-hydroxyethyl)-1-<i>p</i>-tolyl-4,5,6,7-tetrahydro-3(1<i>H</i>)-isoindolone
• Authors of publication: Kapor, A.; Stájer, G.; Bernáth, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1967 - 1969
• a: 13.146 ± 0.001 Å
• b: 8.917 ± 0.001 Å
• c: 12.829 ± 0.001 Å
• α: 90°
• β: 98.89 ± 0.01°
• γ: 90°
• Cell volume: 1485.8 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 2.24
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No