Information card for entry 7156155

Structure parameters

• Formula: C21 H15 N3 O6 S
• Calculated formula: C21 H15 N3 O6 S
• Title of publication: Ru(ii)-Catalyzed spirocyclization of aryl N-sulfonyl ketimines with aryl isocyanates through an aromatic C-H bond activation.
• Authors of publication: K, Nagarjuna Reddy; U, Subhadra; B, Sridhar; B V, Subba Reddy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 2522 - 2526
• a: 8.2614 ± 0.0001 Å
• b: 11.369 ± 0.0002 Å
• c: 10.8661 ± 0.0002 Å
• α: 90°
• β: 106.297 ± 0.0004°
• γ: 90°
• Cell volume: 979.58 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No