Information card for entry 7233023

Structure parameters

• Formula: C30 H22 N2 O2 S4
• Calculated formula: C30 H22 N2 O2 S4
• Title of publication: Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines
• Authors of publication: Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 35
• Pages of publication: 5227
• a: 7.326 ± 0.003 Å
• b: 8.145 ± 0.004 Å
• c: 11.233 ± 0.004 Å
• α: 92.52 ± 0.03°
• β: 103.51 ± 0.03°
• γ: 97.61 ± 0.04°
• Cell volume: 644 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.2532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No