Information card for entry 1575517

Structure parameters

• Formula: C28 H22 N2 S2
• Calculated formula: C28 H22 N2 S2
• Title of publication: Spontaneous chiral symmetry breaking in a single crystal.
• Authors of publication: Oketani, Ryusei; Okada, Musashi; Takaji, Kentaro; Shigemitsu, Hajime; Kida, Toshiyuki; Nakashima, Takuya; Hisaki, Ichiro
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 17621 - 17629
• a: 8.5534 ± 0.0003 Å
• b: 5.53 ± 0.0002 Å
• c: 22.8598 ± 0.0007 Å
• α: 90°
• β: 94.991 ± 0.003°
• γ: 90°
• Cell volume: 1077.18 ± 0.06 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No