Information card for entry 4109898

Structure parameters

• Formula: C31.5 H30 N3 O3
• Calculated formula: C31 H28 N3 O2.5
• SMILES: N([C@H](c1c2c(ccc1)cccc2)C)C(=O)c1nc(ccc1)C(=O)N[C@@H](C)c1cccc2c1cccc2.O
• Title of publication: Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles
• Authors of publication: Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10986 - 10987
• a: 20.5755 ± 0.0008 Å
• b: 20.5755 ± 0.0008 Å
• c: 13.6392 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5774.2 ± 0.5 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No