Information card for entry 7229711

Structure parameters

• Formula: C37.25 H29.5 Cl0.5 F6 N3 S Sb
• Calculated formula: C37.25 H29.5 Cl0.5 F6 N3 S Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.ClCCl.S1c2c(N(c3c1cc(N(c1ccccc1)c1ccccc1)cc3)C)ccc(N(c1ccccc1)c1ccccc1)c2
• Title of publication: Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines
• Authors of publication: Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 88
• Pages of publication: 56144
• a: 18.0621 ± 0.0012 Å
• b: 21.7543 ± 0.0011 Å
• c: 18.1682 ± 0.0013 Å
• α: 90°
• β: 108.862 ± 0.003°
• γ: 90°
• Cell volume: 6755.4 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No