Information card for entry 7058768

Structure parameters

• Formula: C22 H16 O S
• Calculated formula: C22 H16 O S
• Title of publication: Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations
• Authors of publication: Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 14224
• a: 8.2047 ± 0.0002 Å
• b: 15.2729 ± 0.0003 Å
• c: 13.059 ± 0.0003 Å
• α: 90°
• β: 92.9933 ± 0.0008°
• γ: 90°
• Cell volume: 1634.18 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No