Information card for entry 7109947

Structure parameters

• Common name: ubql08
• Formula: C17 H10 N4 S4
• Calculated formula: C17 H10 N4 S4
• 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: 14.1335 ± 0.001 Å
• b: 5.6166 ± 0.0004 Å
• c: 22.091 ± 0.0016 Å
• α: 90°
• β: 107.335 ± 0.001°
• γ: 90°
• Cell volume: 1674 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No