Information card for entry 4086434

Structure parameters

• Formula: C45 H48 Li N2 O2 P
• Calculated formula: C45 H48 Li N2 O2 P
• SMILES: P(=[O][Li]1([O]2CCCC2)N(C2=CC=CC=CC2=[N]1c1ccccc1)C(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• 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: 11.3602 ± 0.0005 Å
• b: 10.5422 ± 0.0005 Å
• c: 31.8629 ± 0.0016 Å
• α: 90°
• β: 98.5767 ± 0.0016°
• γ: 90°
• Cell volume: 3773.3 ± 0.3 ų
• Cell temperature: 100.6 K
• Ambient diffraction temperature: 100.6 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No