Information card for entry 1573463

Structure parameters

• Formula: C24 H17 N O2 S
• Calculated formula: C24 H17 N O2 S
• SMILES: S1(=O)[C@]23C(=Nc4c1cccc4)c1c(C(=O)[C@@H]3C[C@H]2c2ccccc2)cccc1
• Title of publication: Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
• Authors of publication: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 709 - 720
• a: 7.3105 ± 0.0008 Å
• b: 9.5818 ± 0.001 Å
• c: 26.479 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1854.8 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1755
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No