Information card for entry 4020888

Structure parameters

• Formula: C20 H42 Cl N5 O4 P2
• Calculated formula: C20 H42 Cl N5 O4 P2
• SMILES: P1(N(C(C)(C)C)P(N1C(C)(C)C)(=NC(C)(C)C)N(NC(=O)OC(C)C)C(=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: 11.439 ± 0.002 Å
• b: 14.028 ± 0.003 Å
• c: 19.909 ± 0.002 Å
• α: 76.23 ± 0.04°
• β: 75.65 ± 0.04°
• γ: 80.66 ± 0.02°
• Cell volume: 2987.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No