Information card for entry 7122393

Structure parameters

• Common name: NABT
• Chemical name: NABT
• Formula: C18 H13 N3 O S
• Calculated formula: C18 H13 N3 O S
• Title of publication: Monitoring ADP and ATP in vivo using a fluorescent Ga(iii)-probe complex.
• Authors of publication: Zhang, Xinyu; Jiang, Yuqian; Xiao, Nao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 91
• Pages of publication: 12812 - 12815
• a: 17.1396 ± 0.0008 Å
• b: 4.0692 ± 0.0002 Å
• c: 22.0699 ± 0.0015 Å
• α: 90°
• β: 108.746 ± 0.006°
• γ: 90°
• Cell volume: 1457.6 ± 0.15 ų
• Cell temperature: 179.99 ± 0.11 K
• Ambient diffraction temperature: 179.99 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1224
• 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