Information card for entry 7161017

Structure parameters

• Formula: C33 H29 N O5 S
• Calculated formula: C33 H29 N O5 S
• Title of publication: Ynones as Versatile Electrophiles for the Divergent Synthesis of 4H-Chromenes and 1,4-Dihydroquinolines
• Authors of publication: Thirupathi, Barla; Mishra, Gitanjali; Indu, Potnuru; Muduli, Gitanjali
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 11.361 ± 0.002 Å
• b: 11.211 ± 0.002 Å
• c: 22.472 ± 0.004 Å
• α: 90°
• β: 92.37 ± 0.006°
• γ: 90°
• Cell volume: 2859.8 ± 0.9 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0754
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No