Information card for entry 7128895

Structure parameters

• Chemical name: 3'-azido-2'-(1H-benzo[d]imidazol-1-yl)-1H,3'H-3,3'-biindole
• Formula: C23 H15 N7
• Calculated formula: C23 H15 N7
• SMILES: [n-]1cc(c2ccccc12)C1(N=N#N)C(=Nc2c1cccc2)n1c[nH+]c2c1cccc2
• 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: 10.6842 ± 0.0017 Å
• b: 10.8749 ± 0.0017 Å
• c: 12.429 ± 0.002 Å
• α: 91.808 ± 0.002°
• β: 111.391 ± 0.002°
• γ: 101.478 ± 0.002°
• Cell volume: 1309.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1128
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No