Information card for entry 7128342

Structure parameters

• Formula: C25 H25 N3
• Calculated formula: C25 H25 N3
• SMILES: N1(N=N(=CC1=C(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)C
• 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: 7.9028 ± 0.0007 Å
• b: 12.5696 ± 0.0008 Å
• c: 20.7598 ± 0.0018 Å
• α: 90°
• β: 95.571 ± 0.003°
• γ: 90°
• Cell volume: 2052.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No