Information card for entry 4038013

Structure parameters

• Chemical name: 2,4,6,8-Tetra(n-undecyl)-1^5^,5^5^-dibromo-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: C78 H121 Br2 Cl5 O8
• Calculated formula: C78 H121 Br2 Cl5 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: 11.605 ± 0.0002 Å
• b: 17.8076 ± 0.0005 Å
• c: 20.157 ± 0.0005 Å
• α: 83.974 ± 0.002°
• β: 77.65 ± 0.002°
• γ: 75.603 ± 0.002°
• Cell volume: 3935.5 ± 0.17 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: 0.0781
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No