Information card for entry 1520505

Structure parameters

• Formula: C20 H16 I N O
• Calculated formula: C20 H16 I N O
• SMILES: Ic1c(c2n(c3ccccc3c2cc1)C)c1ccc(OC)cc1
• Title of publication: Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization.
• Authors of publication: Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3186 - 3189
• a: 7.2355 ± 0.0005 Å
• b: 20.9295 ± 0.0019 Å
• c: 23.0167 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3485.5 ± 0.5 ų
• Cell temperature: 293.1 ± 0.12 K
• Ambient diffraction temperature: 293.1 ± 0.12 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No