Information card for entry 1565274

Structure parameters

• Formula: C36 H22 N2 S3
• Calculated formula: C36 H22 N2 S3
• Title of publication: Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations
• Authors of publication: Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen
• Journal of publication: Materials Horizons
• Year of publication: 2021
• a: 28.6595 ± 0.0005 Å
• b: 8.9864 ± 0.0002 Å
• c: 13.6296 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3510.25 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No