Information card for entry 7226686

Structure parameters

• Formula: C35 H38 N2 O5 P S
• Calculated formula: C35 H38 N2 O5 P S
• SMILES: S(=O)(=O)([O-])CN(C)C(=O)C1=CC([N](=O)C1(C)C)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.3907 ± 0.0002 Å
• b: 11.7359 ± 0.0003 Å
• c: 14.0932 ± 0.0003 Å
• α: 68.809 ± 0.005°
• β: 86.046 ± 0.006°
• γ: 86.623 ± 0.006°
• Cell volume: 1597.49 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No