Information card for entry 2242203

Structure parameters

• Chemical name: 2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-oxide
• Formula: C26 H38 Cl N2 O P
• Calculated formula: C26 H38 Cl N2 O P
• SMILES: ClP1(=O)N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Crystal structure of 2-chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-oxide
• Authors of publication: Veinot, Alex J.; Hendsbee, Arthur D.; Masuda, Jason D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 735 - 737
• a: 19.984 ± 0.003 Å
• b: 6.6328 ± 0.0011 Å
• c: 20.14 ± 0.003 Å
• α: 90°
• β: 106.818 ± 0.002°
• γ: 90°
• Cell volume: 2555.4 ± 0.7 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 6
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes