Information card for entry 1565589

Structure parameters

• Chemical name: DTTP4
• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: O=c1n(c(c2c(C(=O)N(C2C)Cc2ccccc2)c1)C)CC
• Title of publication: De novo generation of a bright blue fluorophore from 2-oxoglutarate in biological samples
• Authors of publication: Kim, Yumin; Kang, Sangyoon; Lee, Byung Hun; Song, Youngjun; Kang, Sunah; Park, Hye Yoon; Lee, Yan
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.632 ± 0.0008 Å
• b: 9.0024 ± 0.0009 Å
• c: 29.319 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3070.2 ± 0.4 ų
• Cell temperature: 292.6 ± 0.3 K
• Ambient diffraction temperature: 292.6 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No