Information card for entry 7104574

Structure parameters

• Formula: C37 H39 B N3 P
• Calculated formula: C37 H39 B N3 P
• SMILES: P1([N](=N#N)[B](c2c1cccc2)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)(c1ccccc1)c1ccccc1
• Title of publication: Azide ion recognition in water-CHCl(3) using a chelating phosphonium borane as a receptor.
• Authors of publication: Kim, Youngmin; Hudnall, Todd W; Bouhadir, Ghenwa; Bourissou, Didier; Gabbaï, François P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3729 - 3731
• a: 17.702 ± 0.002 Å
• b: 8.9863 ± 0.0012 Å
• c: 19.979 ± 0.003 Å
• α: 90°
• β: 95.172 ± 0.009°
• γ: 90°
• Cell volume: 3165.3 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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 all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No