Information card for entry 1503648

Structure parameters

• Formula: C24 H21 N O2 S
• Calculated formula: C24 H21 N O2 S
• SMILES: S1Cc2c(c3c4c(ccc3nc2c2cc(OC)cc(OC)c2)cccc4)CC1
• Title of publication: Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine
• Authors of publication: Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 433
• a: 8.0812 ± 0.0006 Å
• b: 20.3378 ± 0.0016 Å
• c: 11.4913 ± 0.0008 Å
• α: 90°
• β: 94.843 ± 0.004°
• γ: 90°
• Cell volume: 1881.9 ± 0.2 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: 0.0961
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No