Information card for entry 7126182

Structure parameters

• Common name: AQM Analog 8
• Chemical name: AQM Monomeric Analog 8
• Formula: C22 H16 N2 S4
• Calculated formula: C22 H16 N2 S4
• Title of publication: A highly substituted pyrazinophane generated from a quinoidal system via a cascade reaction.
• Authors of publication: Anderson, Christopher L.; Liang, Jiatao; Teat, Simon J.; Garzón-Ruiz, Andrés; Nenon, David P.; Navarro, Amparo; Liu, Yi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 32
• Pages of publication: 4472 - 4475
• a: 5.4963 ± 0.0003 Å
• b: 10.4093 ± 0.0005 Å
• c: 17.0568 ± 0.0008 Å
• α: 90°
• β: 98.615 ± 0.002°
• γ: 90°
• Cell volume: 964.85 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No