Information card for entry 2001234

Structure parameters

• Chemical name: 6-tert-butyl-3,3-dimethyl-3H-indol-1-oxide
• Formula: C14 H19 N O
• Calculated formula: C14 H19 N O
• Title of publication: Structure of 6-<i>tert</i>-butyl-3,3-dimethyl-3<i>H</i>-indolium-1-oxide
• Authors of publication: De Ridder, D. J. A.; Schenk, H.; Döpp, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1971 - 1973
• a: 10.974 ± 0.002 Å
• b: 11.892 ± 0.001 Å
• c: 19.952 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2603.8 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.135
• Goodness-of-fit parameter for all reflections: 0.525
• Goodness-of-fit parameter for significantly intense reflections: 0.525
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No