Information card for entry 1571515

Structure parameters

• Common name: 24047z
• Chemical name: Benzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenothiazine
• Formula: C22 H12 N2 S2
• Calculated formula: C22 H12 N2 S2
• Title of publication: Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine
• Authors of publication: Bader, Mamoun M.; Pham, Phuong-Truc T.; Abu Khodair, Salma S.; Saleh, Maysoon I.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 4
• a: 11.7365 ± 0.0005 Å
• b: 3.8149 ± 0.0002 Å
• c: 35.726 ± 0.0015 Å
• α: 90°
• β: 97.669 ± 0.002°
• γ: 90°
• Cell volume: 1585.27 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No