Information card for entry 4032490

Structure parameters

• Formula: C14 H16 Cl0.3 I2.62 N2 O
• Calculated formula: C14 H16 Cl0.3 I2.62 N2 O
• Title of publication: Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.
• Authors of publication: Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 5198 - 5203
• a: 8.624 ± 0.0009 Å
• b: 9.7739 ± 0.0006 Å
• c: 10.9703 ± 0.0013 Å
• α: 94.825 ± 0.007°
• β: 97.934 ± 0.009°
• γ: 92.335 ± 0.007°
• Cell volume: 911.31 ± 0.16 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No