Information card for entry 7119887

Structure parameters

• Chemical name: 3b_le-4-140
• Formula: C33 H40 N4 O
• Calculated formula: C33 H40 N4 O
• SMILES: O=N/N=C1/N(C(=N(=C1)c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• 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: 10.6312 ± 0.0002 Å
• b: 15.7365 ± 0.0003 Å
• c: 18.2828 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3058.67 ± 0.1 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No