Information card for entry 7204135

Structure parameters

• Formula: C36 H40 O6
• Calculated formula: C36 H40 O6
• SMILES: C1OCc2ccc(cc2)COCc2cc(cc(COCc3ccc(cc3)COCc3cc(cc1c3OC)C)c2OC)C
• Title of publication: Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures
• Authors of publication: Komatsu, Naoki; Chishiro, Takefumi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1532 - 1537
• a: 14.3011 ± 0.0009 Å
• b: 7.608 ± 0.001 Å
• c: 15.421 ± 0.001 Å
• α: 90°
• β: 113.246 ± 0.005°
• γ: 90°
• Cell volume: 1541.6 ± 0.3 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for significantly intense reflections: 1.758
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No