Information card for entry 7157195

Structure parameters

• Formula: C26 H26 N4 O2 S
• Calculated formula: C26 H26 N4 O2 S
• Title of publication: A facile method for the synthesis of dihydroquinoline-azide from the Lewis acid-catalyzed reaction of alkylidenecyclopropanes with TMSN3
• Authors of publication: Chen, Mintao; Wei, Yin; Shi, Min
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 9.1784 ± 0.0004 Å
• b: 15.0323 ± 0.0006 Å
• c: 17.5468 ± 0.0006 Å
• α: 90°
• β: 99.573 ± 0.001°
• γ: 90°
• Cell volume: 2387.26 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No