Information card for entry 7129607

Structure parameters

• Formula: C23 H21 N3 O3 S
• Calculated formula: C23 H21 N3 O3 S
• Title of publication: Synthesis of Chiral Polycyclic N-Heterocycles via Gold(I)-Catalyzed 1,6-Enyne Cyclization/Intramolecular Nucleophilic Addition
• Authors of publication: Han, Xu; Gaignard-Gaillard, Quentin; Retailleau, Pascal; Gandon, Vincent; Voituriez, Arnaud
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.1095 ± 0.0003 Å
• b: 8.1293 ± 0.0002 Å
• c: 22.4667 ± 0.0006 Å
• α: 90°
• β: 103.438 ± 0.002°
• γ: 90°
• Cell volume: 1973.47 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No