Information card for entry 2005229

Structure parameters

• Common name: tetraline
• Chemical name: 1-hydroxy-1-propynyl-2,2-spiro-(1-cyclohex-2 -ene-1-one)-1(2H)-tetraline
• Formula: C18 H18 O2
• Calculated formula: C18 H18 O2
• Title of publication: A Tetralin Derivative
• Authors of publication: Kabaleeswaran, V.; Rajan, S. S.; Janarthanam, S.; Rajagopalan, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1983 - 1985
• a: 7.947 ± 0.002 Å
• b: 11.949 ± 0.003 Å
• c: 7.749 ± 0.002 Å
• α: 106.19 ± 0.02°
• β: 96.79 ± 0.02°
• γ: 84.7 ± 0.02°
• Cell volume: 700.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for all reflections: 0.958
• Goodness-of-fit parameter for significantly intense reflections: 0.888
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No