Information card for entry 4037533

Structure parameters

• Formula: C26 H30 N6 O
• Calculated formula: C26 H30 N6 O
• SMILES: O1c2c(n3nnc(c3c3n(nnc3CCCCC)c3ccccc13)CCCCC)cccc2
• Title of publication: Metal- and Phenol-Free Synthesis of Biaryl Ethers: Access to Dibenzobistriazolo-1,4,7-oxadiazonines and Vancomycin-Like Glyco-Macrocycles as Antibacterial Agents.
• Authors of publication: Singh, Kartikey; Sharma, Gaurav; Shukla, Manjulika; Kant, Ruchir; Chopra, Sidharth; Shukla, Sanjeev K.; Tripathi, Rama P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 14882 - 14893
• a: 9.037 ± 0.006 Å
• b: 27.363 ± 0.016 Å
• c: 10.344 ± 0.006 Å
• α: 90°
• β: 100.635 ± 0.013°
• γ: 90°
• Cell volume: 2514 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No