Information card for entry 1517982

Structure parameters

• Formula: C26 H22 N2 O3
• Calculated formula: C26 H22 N2 O3
• SMILES: O=C(N[C@H](c1cc2ccccc2cc1)C)c1nc(ccc1)C(=O)OCc1ccccc1
• 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: 5.4288 ± 0.0002 Å
• b: 16.6067 ± 0.0006 Å
• c: 11.4114 ± 0.0004 Å
• α: 90°
• β: 98.2867 ± 0.0018°
• γ: 90°
• Cell volume: 1018.05 ± 0.06 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: 0.031
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No