Information card for entry 7119892

Structure parameters

• Chemical name: 1_LE-5-11
• Formula: C35 H51 Li N6 O4
• Calculated formula: C35 H51 Li N6 O4
• Title of publication: Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.
• Authors of publication: Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 4331 - 4334
• a: 15.33916 ± 0.00012 Å
• b: 15.62771 ± 0.00007 Å
• c: 15.99955 ± 0.00012 Å
• α: 90°
• β: 112.04 ± 0.0009°
• γ: 90°
• Cell volume: 3555.08 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7129 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No