Information card for entry 7128334

Structure parameters

• Formula: C20 H23 N3
• Calculated formula: C20 H23 N3
• SMILES: N1(N=N(=C/C1=C\c1ccccc1)c1c(cc(cc1C)C)C)CC
• Title of publication: Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.
• Authors of publication: Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 50
• Pages of publication: 6137 - 6140
• a: 9.464 ± 0.003 Å
• b: 7.518 ± 0.002 Å
• c: 12.116 ± 0.003 Å
• α: 90°
• β: 92.972 ± 0.013°
• γ: 90°
• Cell volume: 860.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No