Information card for entry 7226687

Structure parameters

• Formula: C31 H40 N2 O8 S17
• Calculated formula: C31 H40 N2 O8 S17
• SMILES: S1CCSC2=C1SC(S2)=C1SC2=C(S1)SCCS2.S1CCSC2=C1SC(S2)=C1SC2=C(S1)SCCS2.S(=O)(=O)([O-])CN(C)C(=O)C1=CC([N](=O)C1(C)C)(C)C.O.O.O
• Title of publication: A strongly polarized organic conductor
• Authors of publication: Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 42
• Pages of publication: 8151
• a: 11.3672 ± 0.0002 Å
• b: 8.53265 ± 0.00015 Å
• c: 45.911 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4453 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No