Information card for entry 7155494

Structure parameters

• Formula: C15.5 H20 Cl N O2
• Calculated formula: C15.5 H20 Cl N O2
• Title of publication: Zwitterionic indenylammonium with carbon-centred reactivity towards reversible CO2 binding and catalytic reduction.
• Authors of publication: Yang, Yanxin; Yan, Linfan; Xie, Qinyu; Liang, Qiuming; Song, Datong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2240 - 2245
• a: 7.8393 ± 0.0009 Å
• b: 10.8367 ± 0.0012 Å
• c: 17.382 ± 0.002 Å
• α: 90°
• β: 94.666 ± 0.005°
• γ: 90°
• Cell volume: 1471.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1588
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No