Information card for entry 1520504

Structure parameters

• Formula: C20 H16 I N O
• Calculated formula: C20 H16 I N O
• SMILES: Ic1ccc2n(c3c(c2c1c1ccc(OC)cc1)cccc3)C
• 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: 10.699 ± 0.001 Å
• b: 11.726 ± 0.0011 Å
• c: 22.2683 ± 0.0012 Å
• α: 94.284 ± 0.006°
• β: 101.795 ± 0.006°
• γ: 109.369 ± 0.008°
• Cell volume: 2549 ± 0.4 ų
• Cell temperature: 291.64 ± 0.1 K
• Ambient diffraction temperature: 291.64 ± 0.1 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: 0.1024
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No