Information card for entry 4032990

Structure parameters

• Formula: C23 H25 N O4 S
• Calculated formula: C23 H25 N O4 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1C(=O)Cc2cc(ccc2C2(C=CCCC2)C1)OC
• Title of publication: Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.
• Authors of publication: Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 21
• Pages of publication: 11543 - 11557
• a: 8.1794 ± 0.0007 Å
• b: 33.379 ± 0.003 Å
• c: 7.782 ± 0.0007 Å
• α: 90°
• β: 104.036 ± 0.004°
• γ: 90°
• Cell volume: 2061.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No