Information card for entry 1562415

Structure parameters

• Chemical name: Methyl 4-(2-thienyl)benzoate
• Formula: C12 H10 O2 S
• Calculated formula: C12 H10 O2 S
• 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: 5.968 ± 0.003 Å
• b: 7.371 ± 0.003 Å
• c: 24.21 ± 0.005 Å
• α: 90°
• β: 94.51 ± 0.02°
• γ: 90°
• Cell volume: 1061.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No