Information card for entry 7707103

Structure parameters

• Formula: C39 H37 B N2
• Calculated formula: C39 H37 B N2
• Title of publication: Synthesis of pyrazole anchored three-coordinated organoboranes and their application in the detection of picric acid.
• Authors of publication: Sa, Shreenibasa; Mukundam, Vanga; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 6204 - 6212
• a: 8.2587 ± 0.0004 Å
• b: 30.5396 ± 0.0017 Å
• c: 11.9793 ± 0.0007 Å
• α: 90°
• β: 91.502 ± 0.003°
• γ: 90°
• Cell volume: 3020.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1252
• 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