Information card for entry 7159897

Structure parameters

• Formula: C37 H27 N
• Calculated formula: C37 H27 N
• SMILES: n1(c2c(c(cc(c3ccc(c4ccccc4)cc3)c2c2c1cccc2)c1ccccc1)c1ccccc1)C
• Title of publication: Cu(OTf)₂/HFIP catalyzed regioselective cycloisomerization of indole-C3-functionalized alkynols to carbazoles.
• Authors of publication: Yaragorla, Srinivasarao; Khan, Tabassum; Chakroborty, Sayonika
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 18
• Pages of publication: 3622 - 3629
• a: 9.6614 ± 0.0012 Å
• b: 12.3016 ± 0.0017 Å
• c: 12.4047 ± 0.0016 Å
• α: 66.465 ± 0.004°
• β: 77.764 ± 0.005°
• γ: 82.339 ± 0.005°
• Cell volume: 1319 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1829
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2546
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No