Information card for entry 4038011

Structure parameters

• Chemical name: 2,4,6,8-Tetra(isobutyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol
• Formula: C51 H68 Cl3 N O8
• Calculated formula: C51 H68 Cl3 N O8
• Title of publication: One-Step Synthesis of <i>C</i>_2v-Symmetric Resorcin[4]arene Tetraethers.
• Authors of publication: Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 6
• Pages of publication: 4574 - 4580
• a: 10.0957 ± 0.0006 Å
• b: 16.5247 ± 0.0007 Å
• c: 16.6164 ± 0.0007 Å
• α: 73.814 ± 0.004°
• β: 74.718 ± 0.004°
• γ: 89.583 ± 0.004°
• Cell volume: 2561.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No