Information card for entry 1517979

Structure parameters

• Chemical name: 6-((1-(naphthalen-2-yl)ethyl)carbamoyl)picolinic acid
• Formula: C19 H16 N2 O3
• Calculated formula: C19 H16 N2 O3
• SMILES: O=C(O)c1cccc(n1)C(=O)N[C@H](C)c1cc2ccccc2cc1
• Title of publication: The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures
• Authors of publication: Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 457
• a: 6.8436 ± 0.0004 Å
• b: 26.8023 ± 0.0014 Å
• c: 8.3932 ± 0.0005 Å
• α: 90°
• β: 90.9 ± 0.0013°
• γ: 90°
• Cell volume: 1539.33 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No