Information card for entry 7132403

Structure parameters

• Formula: C36 H33 N O2 S
• Calculated formula: C36 H33 N O2 S
• SMILES: S(C1=C(c2ccccc2)[C@@H](C(=O)OCC)Cc2n(c3c(c2[C@@H]1c1ccc(cc1)C)cccc3)C)c1ccccc1.S(C1=C(c2ccccc2)[C@H](C(=O)OCC)Cc2n(c3c(c2[C@H]1c1ccc(cc1)C)cccc3)C)c1ccccc1
• Title of publication: Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[<i>b</i>]indole over carbazole.
• Authors of publication: Gharpure, Santosh J.; Kumari, Sanyog
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 538 - 541
• a: 11.0196 ± 0.0003 Å
• b: 11.9729 ± 0.0003 Å
• c: 12.4127 ± 0.0003 Å
• α: 68.202 ± 0.003°
• β: 71.011 ± 0.003°
• γ: 87.557 ± 0.002°
• Cell volume: 1432.13 ± 0.08 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: 0.0527
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No