Information card for entry 7244939

Structure parameters

• Chemical name: BTDBS
• Formula: C24 H30 O12 S4
• Calculated formula: C24 H30 O12 S4
• Title of publication: Systematic arrangement control of functional organic molecules
• Authors of publication: Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 16.8387 ± 0.0011 Å
• b: 6.0329 ± 0.0004 Å
• c: 13.8772 ± 0.001 Å
• α: 90°
• β: 102.928 ± 0.007°
• γ: 90°
• Cell volume: 1374 ± 0.17 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 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: 0.1177
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No