Information card for entry 1562416

Structure parameters

• Chemical name: methyl-2,2'-bithienyl-5-carboxylate
• Formula: C10 H8 O2 S2
• Calculated formula: C10 H8 O2 S2
• Title of publication: Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.
• Authors of publication: Fucci, Rosa; Vande Velde, Christophe M. L.
• Journal of publication: Faraday discussions
• Year of publication: 2021
• Journal volume: 231
• Journal issue: 0
• Pages of publication: 97 - 111
• a: 14.212 ± 0.003 Å
• b: 6.005 ± 0.001 Å
• c: 23.945 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2043.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0481
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No