Information card for entry 7128745

Structure parameters

• Formula: C22 H19 N O3
• Calculated formula: C22 H19 N O3
• Title of publication: 2-Indolymethanols as 4-atom-synthons in oxa-Michael reaction cascade: access to tetracyclic indoles.
• Authors of publication: Han, Tian-Jiao; Wang, Min-Can; Mei, Guang-Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 71
• Pages of publication: 8921 - 8924
• a: 8.34646 ± 0.00016 Å
• b: 28.3786 ± 0.0005 Å
• c: 8.67019 ± 0.00014 Å
• α: 90°
• β: 94.7923 ± 0.0018°
• γ: 90°
• Cell volume: 2046.45 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No