Information card for entry 4035463

Structure parameters

• Formula: C17 H20 O4
• Calculated formula: C17 H20 O4
• SMILES: O(c1c(cc(OC)cc1)Cc1c(OC)ccc(OC)c1)C
• Title of publication: Step-Growth Cyclo-Oligomerization for the Preparation of Di- and Tetrafunctionalized Pillar[5]arenes.
• Authors of publication: Mao, Weipeng; Zhan, Shuaijun; Zhu, Bowei; Ma, Da
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 7
• Pages of publication: 4147 - 4152
• a: 12.456 ± 0.003 Å
• b: 7.819 ± 0.0019 Å
• c: 16.034 ± 0.004 Å
• α: 90°
• β: 97.129 ± 0.004°
• γ: 90°
• Cell volume: 1549.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No