Information card for entry 7156737

Structure parameters

• Formula: C19 H19 N O4 S
• Calculated formula: C19 H19 N O4 S
• Title of publication: Mitsunobu-initiated cascade cyclization of p-quinamines and 2-furanylmethanols: highly regio- and diastereoselective synthesis of functionalized hydrobenzo[c,d]indoles.
• Authors of publication: Cao, Bo; Wei, Yin; Shi, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3737 - 3740
• a: 16.3542 ± 0.001 Å
• b: 6.0255 ± 0.0004 Å
• c: 17.1246 ± 0.0012 Å
• α: 90°
• β: 98.854 ± 0.002°
• γ: 90°
• Cell volume: 1667.39 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No