Information card for entry 7129050

Structure parameters

• Chemical name: Form 1
• Formula: C32 H14 N4 S2
• Calculated formula: C32 H14 N4 S2
• Title of publication: Helical mesoscopic crystals based on an achiral charge-transfer complex with controllable untwisting/breaking.
• Authors of publication: Yang, Canglei; Luo, Lixing; Chen, Jinqiu; Yang, Bo; Wang, Wei; Wang, Hebin; Long, Guankui; Liu, Guangfeng; Zhang, Jing; Huang, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 78
• Pages of publication: 10031 - 10034
• a: 7.4924 ± 0.0004 Å
• b: 9.4682 ± 0.0005 Å
• c: 9.6821 ± 0.0005 Å
• α: 112.93 ± 0.002°
• β: 109.052 ± 0.002°
• γ: 90.147 ± 0.002°
• Cell volume: 591.24 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No