Information card for entry 2005616

Structure parameters

• Chemical name: 1,3,5-tris-{2-[(N,N-dimethylhydrazono)methyl]phenyl)}boroxin
• Formula: C27 H33 B3 N6 O3
• Calculated formula: C27 H33 B3 N6 O3
• Title of publication: A Triphenylboroxin Derivative Possessing Two Intramolecular Chelates
• Authors of publication: Robinson, P. D.; Groziak, M. P.; Yi, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2826 - 2830
• a: 14.505 ± 0.002 Å
• b: 10.792 ± 0.001 Å
• c: 18.496 ± 0.002 Å
• α: 90°
• β: 98.81 ± 0.01°
• γ: 90°
• Cell volume: 2861.2 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.49
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No