Information card for entry 7123266

Structure parameters

• Chemical name: LYF-St
• Formula: C38 H44 S2
• Calculated formula: C38 H44 S2
• Title of publication: Cyclopenta[b]thiopyran and Cyclopenta[b]selenopyran Based Heteroarenes: Electronic Communication Between S- and/or Se-Fused Aromatics
• Authors of publication: Qiao, Yanjun; Lu, Yifan; Chen, Weinan; Chen, Yijing; Baumgarten, Martin; Zhou, Gang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 4.9037 ± 0.0008 Å
• b: 9.209 ± 0.003 Å
• c: 17.287 ± 0.005 Å
• α: 78.265 ± 0.016°
• β: 87.365 ± 0.018°
• γ: 80.485 ± 0.015°
• Cell volume: 753.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No