Information card for entry 2242214

Structure parameters

• Chemical name: 2-Azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine
• Formula: C26 H38 N5 P
• Calculated formula: C26 H38 N5 P
• SMILES: P1(N=N#N)N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Crystal structure of 2-azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine
• Authors of publication: Veinot, Alex J.; Blair, Amber D.; Masuda, Jason D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 905 - 907
• a: 10.0148 ± 0.0012 Å
• b: 17.343 ± 0.002 Å
• c: 15.627 ± 0.0019 Å
• α: 90°
• β: 105.948 ± 0.002°
• γ: 90°
• Cell volume: 2609.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.065
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes