Information card for entry 4086435

Structure parameters

• Formula: C20 H25 N2 Na O
• Calculated formula: C20 H25 N2 Na O
• SMILES: C12=[N](C(C)C)[Na](N(C1=CC=CC=C2)c1ccccc1)[O]1CCCC1
• Title of publication: Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes
• Authors of publication: Lichtenberg, Crispin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 894
• a: 11.9995 ± 0.0005 Å
• b: 12.218 ± 0.0006 Å
• c: 12.4666 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1827.73 ± 0.15 ų
• Cell temperature: 101.9 K
• Ambient diffraction temperature: 101.9 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: 0.0417
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No