Information card for entry 4020889

Structure parameters

• Formula: C22 H45 Cl F3 N5 O5 P2
• Calculated formula: C22 H45 Cl F3 N5 O5 P2
• SMILES: [P+]1(N(C(C)(C)C)P(OCC(F)(F)F)N1C(C)(C)C)(NC(C)(C)C)N(C(=O)OC(C)C)NC(=O)OC(C)C.[Cl-]
• Title of publication: Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction
• Authors of publication: N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1880 - 1889
• a: 18.2506 ± 0.0018 Å
• b: 9.7929 ± 0.0016 Å
• c: 18.982 ± 0.002 Å
• α: 90°
• β: 109.54 ± 0.04°
• γ: 90°
• Cell volume: 3197.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No