Information card for entry 7047339

Structure parameters

• Formula: C38 H21 B F15 N O
• Calculated formula: C38 H21 B F15 N O
• Title of publication: Synthesis and photophysical properties of imine borane adducts towards vapochromic materials.
• Authors of publication: Soltani, Yashar; Adams, Samuel J.; Börger, Jennifer; Wilkins, Lewis C.; Newman, Paul D.; Pope, Simon J. A.; Melen, Rebecca L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12656 - 12660
• a: 10.8591 ± 0.0005 Å
• b: 11.0549 ± 0.0004 Å
• c: 15.5476 ± 0.0007 Å
• α: 75.088 ± 0.004°
• β: 69.996 ± 0.004°
• γ: 84.603 ± 0.004°
• Cell volume: 1694.72 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No