Information card for entry 4516154

Structure parameters

• Formula: C26 H32 N3 O4 S
• Calculated formula: C26 H31 N3 O4 S
• SMILES: S1c2n(c3c(c2[C@@H]([C@H]1N(NC(=O)OC(C)C)C(=O)OC(C)C)c1ccc(cc1)C)cccc3)C.S1c2n(c3c(c2[C@H]([C@@H]1N(NC(=O)OC(C)C)C(=O)OC(C)C)c1ccc(cc1)C)cccc3)C
• Title of publication: Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.
• Authors of publication: Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 17617 - 17628
• a: 11.08 ± 0.02 Å
• b: 11.755 ± 0.018 Å
• c: 11.961 ± 0.014 Å
• α: 63.18 ± 0.17°
• β: 66.29 ± 0.17°
• γ: 71.29 ± 0.18°
• Cell volume: 1254 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.106
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No