Information card for entry 1565275

Structure parameters

• Formula: C43 H30 N2 O S2
• Calculated formula: C43 H30 N2 O S2
• 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: 28.6573 ± 0.0006 Å
• b: 6.7631 ± 0.0001 Å
• c: 36.8149 ± 0.0007 Å
• α: 90°
• β: 107.502 ± 0.002°
• γ: 90°
• Cell volume: 6804.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No