Information card for entry 7110100

Structure parameters

• Formula: C114.27 H156.53 Cl4.53 N8 O10
• Calculated formula: C114.267 H148.534 Cl4.534 N8 O10
• Title of publication: Site specific carboxylation of abnormal anionic N-heterocyclic dicarbenes with CO2
• Authors of publication: Monika Vogt; Chao Wu; Allen G. Oliver; Christopher J. Meyer; William F. Schneider; Brandon L. Ashfeld
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11527
• a: 25.8365 ± 0.0006 Å
• b: 10.665 ± 0.0003 Å
• c: 41.6219 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11468.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No