Information card for entry 4516095

Structure parameters

• Formula: C34 H29 I N O4
• Calculated formula: C35 H30 I N O3
• SMILES: Ic1c(c2ccccc2)c(c2c(OC)cc(OC)cc2OC)c2n(c3c(c2c1c1ccc(cc1)C)cccc3)C
• Title of publication: Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.
• Authors of publication: Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 15024 - 15034
• a: 14.6664 ± 0.0012 Å
• b: 10.081 ± 0.0006 Å
• c: 40.221 ± 0.002 Å
• α: 90°
• β: 97.759 ± 0.007°
• γ: 90°
• Cell volume: 5892.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No