Information card for entry 1575697

Structure parameters

• Formula: C26 H18 N2 O S
• Calculated formula: C26 H18 N2 O S
• Title of publication: Multifaceted photocatalysis enables cobalt catalyzed enantioselective C-H activation and APEX reaction for C-N axially chiral molecules.
• Authors of publication: Koner, Mainak; Ballav, Nityananda; Varma, Anirudh J.; Ghosh, Suman; Mondal, Tuhin; Kuniyil, Rositha; Baidya, Mahiuddin
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 19296 - 19303
• a: 9.232 ± 0.0007 Å
• b: 9.3771 ± 0.0006 Å
• c: 23.9503 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.4 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 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: 0.0422
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No