Information card for entry 7061071

Structure parameters

• Formula: C25 H30 N2 O3
• Calculated formula: C25 H30 N2 O3
• SMILES: N(=O)(=O)c1ccc(cc1)C(=O)N([C@@H](C)c1ccccc1)[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C
• Title of publication: Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases
• Authors of publication: Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 22579 - 22590
• a: 7.7346 ± 0.0006 Å
• b: 14.3407 ± 0.0009 Å
• c: 39.815 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4416.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0639
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No