Information card for entry 1512209

Structure parameters

• Formula: C24 H25 N3 O2 S
• Calculated formula: C24 H25 N3 O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1CN2Cc3c(N1Cc1c2ccc(c1)C)ccc(c3)C
• Title of publication: Efficient Synthesis of Imino-methano Tröger Bases by Nitrene Insertions into C-N Bonds.
• Authors of publication: Pujari, Sandip A.; Guénée, Laure; Lacour, Jérôme
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3930 - 3933
• a: 10.1571 ± 0.0003 Å
• b: 13.275 ± 0.0003 Å
• c: 17.2305 ± 0.0004 Å
• α: 111.326 ± 0.002°
• β: 91.833 ± 0.002°
• γ: 100.944 ± 0.002°
• Cell volume: 2111.84 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No