Information card for entry 4038598

Structure parameters

• Formula: C34 H29 Br2 N3 O5 S2
• Calculated formula: C34 H29 Br2 N3 O5 S2
• Title of publication: Metal-Free and Regioselective Synthesis of Substituted and Fused Chromenopyrrole Scaffolds via Divergent Reactivity of α-Azido Ketone in Water.
• Authors of publication: Dhanasekar, Elumalai; Kannan, Tharanikkarasu; Venkatesan, Ragavan; Perumal, Paramasivam Thirumalai; Kamalraja, Jayabal
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.6878 ± 0.0004 Å
• b: 12.5438 ± 0.0004 Å
• c: 13.3312 ± 0.0004 Å
• α: 70.9079 ± 0.0014°
• β: 72.8568 ± 0.0015°
• γ: 81.449 ± 0.0016°
• Cell volume: 1761.95 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1477
• 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