Information card for entry 4315935

Structure parameters

• Formula: C48 H37 Li N4 O
• Calculated formula: C48 H37 Li N4 O
• SMILES: c12ccc3C(=c4ccc5=C(c6ccc7=C(C8=CNC(=[CH]8[Li]([n]23)(n45)([n]67)[O]2CCCC2)C=1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Lithium Complexes of N-Confused Porphyrin
• Authors of publication: Saovalak Sripothongnak; Christopher J. Ziegler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5789 - 5791
• a: 10.925 ± 0.003 Å
• b: 14.848 ± 0.004 Å
• c: 15.029 ± 0.004 Å
• α: 80.05 ± 0.004°
• β: 71.677 ± 0.004°
• γ: 72.11 ± 0.004°
• Cell volume: 2194.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No