Information card for entry 2242360

Structure parameters

• Chemical name: 2,5-Bis(4-methoxyphenyl)-1,6,3,4,2λ^5^,5λ^5^-dioxadithiadiphosphecane-2,5-dithione
• Formula: C18 H22 O4 P2 S4
• Calculated formula: C18 H22 O4 P2 S4
• SMILES: [P@]1(SS[P@](=S)(OCCCCO1)c1ccc(OC)cc1)(=S)c1ccc(OC)cc1
• Title of publication: Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their <i>P</i>-ferrocenyl analogues
• Authors of publication: Przychodzeń, Witold; Chojnacki, Jarosław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 212 - 216
• a: 9.4262 ± 0.0006 Å
• b: 13.3761 ± 0.0008 Å
• c: 17.7998 ± 0.0013 Å
• α: 90°
• β: 90.068 ± 0.007°
• γ: 90°
• Cell volume: 2244.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0972
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes