Information card for entry 7114491

Structure parameters

• Formula: C30 H42 O S Se Ti
• Calculated formula: C30 H42 O S Se Ti
• Title of publication: Novel multi-chalcogen ring systems with three different chalcogen atoms: synthesis, structure and redox property of five-membered trichalcogenaheterocyclesElectronic supplementary information (ESI) available: satisfactory characterizing data for all the new compounds. Typical experimental procedure, physical and spectroscopic data of all the new compounds and ORTEP view of 2d. See http://www.rsc.org/suppdata/cc/b2/b205445k/
• Authors of publication: Ogawa, Satoshi; Yoshimura, Satoko; Nagahora, Noriyoshi; Kawai, Yasushi; Mikata, Yuji; Sato, Ryu
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1918
• a: 10.109 ± 0.004 Å
• b: 14.855 ± 0.004 Å
• c: 18.68 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2805.2 ± 1.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0847
• Goodness-of-fit parameter for significantly intense reflections: 0.762
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No