Information card for entry 4514947

Structure parameters

• Formula: C8 H5
• Calculated formula: C8 H5
• Title of publication: Benzotriazole as an Efficient Ligand in Cu-Catalyzed Glaser Reaction.
• Authors of publication: Singh, Mala; Singh, Anoop S.; Mishra, Nidhi; Agrahari, Anand K.; Tiwari, Vinod K.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 2418 - 2424
• a: 6.5476 ± 0.0005 Å
• b: 5.9893 ± 0.0004 Å
• c: 14.4785 ± 0.0012 Å
• α: 90°
• β: 103.07°
• γ: 90°
• Cell volume: 553.07 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No