Information card for entry 7109948

Structure parameters

• Common name: ubql09
• Formula: C13 H8 N4 S3
• Calculated formula: C13 H8 N4 S3
• Title of publication: Design of oligothiophene-based tetrazoles for laser-triggered photoclick chemistry in living cells
• Authors of publication: Peng An; Zhipeng Yu; Qing Lin
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9920
• a: 5.721 ± 0.0006 Å
• b: 6.5534 ± 0.0007 Å
• c: 17.6873 ± 0.0019 Å
• α: 90°
• β: 91.855 ± 0.002°
• γ: 90°
• Cell volume: 662.78 ± 0.12 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 4
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No