Information card for entry 7246555

Structure parameters

• Formula: C16 H15 Cu I N3 O
• Calculated formula: C16 H15 Cu I N3 O
• Title of publication: Copper(i)-catalyzed click chemistry in deep eutectic solvent for the syntheses of β-d-glucopyranosyltriazoles
• Authors of publication: Sethi, Subrat; Jana, Narayan Ch.; Panda, Surajit; Maharana, Suraj Kumar; Bagh, Bidraha
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 10424 - 10432
• a: 12.2982 ± 0.0005 Å
• b: 8.7867 ± 0.0003 Å
• c: 15.5899 ± 0.0006 Å
• α: 90°
• β: 109.228 ± 0.004°
• γ: 90°
• Cell volume: 1590.68 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No