Information card for entry 7229710

Structure parameters

• Formula: C37 H25 N3 S
• Calculated formula: C37 H25 N3 S
• SMILES: S1c2cc(n3c4ccccc4c4ccccc34)ccc2N(c2ccc(n3c4ccccc4c4ccccc34)cc12)C
• 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: 13.022 ± 0.008 Å
• b: 9.483 ± 0.006 Å
• c: 21.773 ± 0.013 Å
• α: 90°
• β: 93.312 ± 0.007°
• γ: 90°
• Cell volume: 2684 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No