Information card for entry 4035606

Structure parameters

• Formula: C31 H25 N O2 S
• Calculated formula: C31 H25 N O2 S
• SMILES: S(=O)(=O)(N1c2c(c3c(c4ccccc4)c4c(cc3C1)cccc4)cc(cc2)C)c1ccc(cc1)C
• Title of publication: Metal-Catalyzed Domino Synthesis of Benzophenanthridines and 6 H-Naphtho[2,3- c]-chromenes.
• Authors of publication: Chakraborty, Baitan; Jalal, Swapnadeep; Paul, Kartick; Kundal, Sandip; Jana, Umasish
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 8139 - 8149
• a: 11.587 ± 0.001 Å
• b: 9.8447 ± 0.0009 Å
• c: 21.773 ± 0.002 Å
• α: 90°
• β: 103.624 ± 0.004°
• γ: 90°
• Cell volume: 2413.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0573
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No