Information card for entry 7706547

Structure parameters

• Formula: C78 H94 Ca N2 O7
• Calculated formula: C78 H94 Ca N2 O7
• Title of publication: Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i>₂-symmetric bis-amide ligands.
• Authors of publication: Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3178 - 3185
• a: 11.46322 ± 0.00013 Å
• b: 18.5099 ± 0.00018 Å
• c: 31.3065 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6642.71 ± 0.12 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No