Information card for entry 2004114

Structure parameters

• Formula: C16 H24 O5
• Calculated formula: C16 H24 O5
• Title of publication: 5,5-Dimethyl-1,3-dioxacyclohexane-2-spiro(2',γ-dimethyl-3'-oxo-2'-cyclohexaneacrylic Acid)
• Authors of publication: Selladurai, S.; Subramanian, K.; Lakshmi, S.; Rajagopalan, K.; Chen, Y. S.; Yang, J.; Narasinga Rao, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2424 - 2426
• a: 13.049 ± 0.001 Å
• b: 10.411 ± 0.001 Å
• c: 12.317 ± 0.003 Å
• α: 90°
• β: 105.5 ± 0.1°
• γ: 90°
• Cell volume: 1612.4 ± 0.9 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No