Information card for entry 7119891

Structure parameters

• Chemical name: 6_LE-5-55
• Formula: C40 H47 Br N4 O
• Calculated formula: C40 H47 Br N4 O
• 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: 14.5259 ± 0.0003 Å
• b: 19.9419 ± 0.0003 Å
• c: 29.1694 ± 0.0006 Å
• α: 90°
• β: 101.055 ± 0.0018°
• γ: 90°
• Cell volume: 8292.8 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No