Information card for entry 8103155

Structure parameters

• Formula: C18 H22 O2
• Calculated formula: C18 H22 O2
• Title of publication: Crystal structure of 1,4-dibutoxy-2,5-diethynylbenzene, C18H22O2
• Authors of publication: Shu-Hua He; Shi-Xu Yi; Jian Men
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 371
• a: 7.4576 ± 0.0005 Å
• b: 17.5319 ± 0.0007 Å
• c: 6.4822 ± 0.0004 Å
• α: 90°
• β: 109.011 ± 0.006°
• γ: 90°
• Cell volume: 801.29 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No