Information card for entry 4020007

Structure parameters

• Formula: C16 H24 O4
• Calculated formula: C16 H24 O4
• Authors of publication: Takahiro Tokuyasu; Shigeki Kunikawa; Kevin J. McCullough; Araki Masuyama; Masatomo Nojima
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 251 - 260
• a: 6.7258 ± 0.0004 Å
• b: 14.2377 ± 0.001 Å
• c: 16.1488 ± 0.0011 Å
• α: 90°
• β: 96.325 ± 0.004°
• γ: 90°
• Cell volume: 1536.99 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No