Information card for entry 7120212

Structure parameters

• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• Title of publication: Photoactivatable Europium Luminescence Turn-On by Photo-Oxygenation of β-Diketone Having Pyrrole Rings
• Authors of publication: Yuasa, Junpei; Nakagawa, Takafumi; Kita, Yuki; Kaito, Ayaka; KAWAI, TSUYOSHI
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.1986 ± 0.0003 Å
• b: 8.6106 ± 0.0004 Å
• c: 20.1002 ± 0.0008 Å
• α: 89.502 ± 0.006°
• β: 82.04 ± 0.006°
• γ: 89.728 ± 0.006°
• Cell volume: 1233.84 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No