Information card for entry 7001548

Structure parameters

• Formula: C23 H17 N4 P
• Calculated formula: C23 H17 N4 P
• SMILES: c1cccc2c(c3cccc(n3)P(c3ccccc3)c3ccccc3)nnn12
• Title of publication: The [1,2,3]Triazolo[1,5-a]pyridine ring: A sensitive sensor for the electronic profile of phosphorus substituents
• Authors of publication: Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Leroux, Frédéric R.; Abarca, Belén; Colobert, Françoise
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5068 - 5070
• a: 13.354 ± 0.0008 Å
• b: 14.4253 ± 0.0004 Å
• c: 19.6452 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3784.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1781
• 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