Information card for entry 1513526

Structure parameters

• Formula: C41 H48 Cl4 Hg2 O4
• Calculated formula: C41 H48 Cl4 Hg2 O4
• Title of publication: Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.
• Authors of publication: Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 138 - 141
• a: 13.3097 ± 0.0003 Å
• b: 16.7693 ± 0.0005 Å
• c: 21.3618 ± 0.0006 Å
• α: 102.48 ± 0.002°
• β: 106.494 ± 0.002°
• γ: 107.577 ± 0.002°
• Cell volume: 4113.7 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1641
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0438
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No