Information card for entry 1570018

Structure parameters

• Common name: Gandelman419b (Kuldeep)
• Formula: C24 H21 N3
• Calculated formula: C24 H21 N3
• SMILES: N1(N(N(c2cccc3cccc1c23)C)c1ccc(cc1)c1ccccc1)C
• Title of publication: Nitrenium ions as new versatile reagents for electrophilic amination.
• Authors of publication: Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 12034 - 12040
• a: 12.4541 ± 0.0011 Å
• b: 14.0752 ± 0.0012 Å
• c: 11.4174 ± 0.001 Å
• α: 90°
• β: 113.841 ± 0.002°
• γ: 90°
• Cell volume: 1830.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1209
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No