Information card for entry 1551753

Structure parameters

• Formula: C38.25 H40.5 Cl0.5 O6
• Calculated formula: C38.25 H40 Cl0.5 O6
• Title of publication: Electrosynthesis and Structural Studies of 5,17-Di-tert-butyl-26,28-dimethoxycalix[4]arene-25,27-diquinone
• Authors of publication: MEDDEB-LIMEM, Sondes; BESBES-HENTATI, Salma; SAID, Hechmi; MALÉZIEUX, Bernard; CHAMOREAU, Lise. Marie.; BOUVET, Marcel
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 29
• a: 15.7058 ± 0.0006 Å
• b: 14.8399 ± 0.001 Å
• c: 16.3334 ± 0.0009 Å
• α: 90°
• β: 117.778 ± 0.004°
• γ: 90°
• Cell volume: 3368.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1967
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No