Information card for entry 7128896

Structure parameters

• Chemical name: 3'-azido-7,7'-dimethyl-2'-(4-methyl-1H-imidazol-1-yl)-1H,3'H-3,3'-biindole
• Formula: C22 H19 N7
• Calculated formula: C22 H19 N7
• SMILES: N1=C(n2cnc(c2)C)C(N=N#N)(c2cccc(c12)C)c1c[nH]c2c1cccc2C
• Title of publication: A radical-mediated multicomponent cascade reaction for the synthesis of azide-biindole derivatives.
• Authors of publication: Liu, Xiaoyu; He, Kun; Gao, Na; Jiang, Peiyun; Lin, Jun; Jin, Yi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 76
• Pages of publication: 9696 - 9699
• a: 8.0191 ± 0.001 Å
• b: 10.4708 ± 0.0013 Å
• c: 13.007 ± 0.0016 Å
• α: 68.608 ± 0.005°
• β: 84.564 ± 0.005°
• γ: 75.181 ± 0.004°
• Cell volume: 983.1 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0901
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No