Information card for entry 7154797

Structure parameters

• Formula: C88.35 H120.9 Cl7.34 N6 O10.32
• Calculated formula: C88.353 H120.897 Cl7.335 N6 O10.318
• Title of publication: Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.
• Authors of publication: Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 738 - 746
• a: 15.2333 ± 0.0007 Å
• b: 29.5603 ± 0.0013 Å
• c: 20.3969 ± 0.0005 Å
• α: 90°
• β: 92.992 ± 0.002°
• γ: 90°
• Cell volume: 9172.2 ± 0.6 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.2857
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.2254
• Weighted residual factors for all reflections included in the refinement: 0.3056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No