Information card for entry 2223453

Structure parameters

• Chemical name: 2,9,16,19,22,25-Hexaoxatetracyclo[24.4.0.2^4,7^.0^10,15^]dotriaconta- 1(26),4,6,10(15),11,13,27,29,31-nonaene
• Formula: C26 H28 O6
• Calculated formula: C26 H28 O6
• SMILES: O1c2ccccc2OCCOCCOCCOc2ccccc2OCc2ccc(cc2)C1
• Title of publication: 2,9,16,19,22,25-Hexaoxatetracyclo[24.4.0.2^4,7^.0^10,15^]dotriaconta-1(26),4,6,10(15),11,13,27,29,31-nonaene
• Authors of publication: Lee, Jai Young; Lee, Ji-Eun; Sim, Wonbo; Park, Ki-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2369 - o2370
• a: 12.348 ± 0.003 Å
• b: 18.908 ± 0.004 Å
• c: 9.824 ± 0.002 Å
• α: 90°
• β: 105.7 ± 0.03°
• γ: 90°
• Cell volume: 2208.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes