Information card for entry 4125397

Structure parameters

• Formula: C21.38 H32.5 B N4 O6.38
• Calculated formula: C21.375 H32.5 B N4 O6.375
• Title of publication: Fast Diazaborine Formation of Semicarbazide Enables Facile Labeling of Bacterial Pathogens.
• Authors of publication: Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 2
• Pages of publication: 871 - 878
• a: 11.1773 ± 0.0005 Å
• b: 12.6727 ± 0.0006 Å
• c: 18.2164 ± 0.0011 Å
• α: 100.992 ± 0.004°
• β: 97.611 ± 0.004°
• γ: 91.693 ± 0.003°
• Cell volume: 2506.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No