Information card for entry 7024274

Structure parameters

• Common name: 8Py
• Formula: C133 H141 N9 O24
• Calculated formula: C133 H141 N9 O24
• Title of publication: Versatile assembly of p-carboxylatocalix[4]arene-O-alkyl ethers.
• Authors of publication: Kennedy, Stuart; Teat, Simon J.; Dalgarno, Scott J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 384 - 387
• a: 12.2237 ± 0.0006 Å
• b: 22.4428 ± 0.0011 Å
• c: 24.2799 ± 0.0012 Å
• α: 64.188 ± 0.003°
• β: 89.399 ± 0.003°
• γ: 88.268 ± 0.003°
• Cell volume: 5993.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No