Information card for entry 7157038

Structure parameters

• Formula: C39 H39 N O9 S
• Calculated formula: C39 H39 N O9 S
• Title of publication: Exploitation of donor-acceptor cyclopropanes and N-sulfonyl 1-azadienes towards the synthesis of spiro-cyclopentane benzofuran derivatives.
• Authors of publication: Verma, Kamal; Taily, Irshad Maajid; Banerjee, Prabal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 35
• Pages of publication: 8149 - 8152
• a: 17.483 ± 0.005 Å
• b: 8.483 ± 0.005 Å
• c: 24.544 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.103 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3612 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1927
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No