Information card for entry 7024273

Structure parameters

• Common name: Formyl OBut C4 Cone
• Formula: C48 H56 O8
• Calculated formula: C48 H56 O8
• 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: 14.2378 ± 0.0016 Å
• b: 16.961 ± 0.002 Å
• c: 17.508 ± 0.0018 Å
• α: 90°
• β: 98.274 ± 0.004°
• γ: 90°
• Cell volume: 4184 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No