Information card for entry 1542974

Structure parameters

• Formula: C44 H32 N2 O5 S
• Calculated formula: C44 H32 N2 O5 S
• SMILES: N(N=C1C(=C(c2c1cccc2)Oc1ccccc1)c1ccc(cc1)OC)=C1c2c(cccc2)C(=C1c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
• Title of publication: Catalytic Diazosulfonylation of Enynals toward Diazoindenes via Oxidative Radical-Triggered 5-exo-trig Carbocyclizations.
• Authors of publication: Hao, Wen-Juan; Du, Yan; Wang, Dan; Jiang, Bo; Gao, Qian; Tu, Shu-Jiang; Li, Guigen
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1884 - 1887
• a: 11.2207 ± 0.0008 Å
• b: 11.9968 ± 0.0009 Å
• c: 14.8113 ± 0.0012 Å
• α: 69.493 ± 0.001°
• β: 75.67 ± 0.002°
• γ: 69.385 ± 0.001°
• Cell volume: 1730.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No