Information card for entry 4020887

Structure parameters

• Formula: C32 H48 N3 O6 P S
• Calculated formula: C32 H48 N3 O6 P S
• SMILES: P1(Oc2c(cc(C)cc2Sc2c(O1)c(cc(c2)C)C(C)(C)C)C(C)(C)C)(N(NC(=O)OCC)C(=O)OCC)=NC(C)(C)C
• 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: 10.681 ± 0.009 Å
• b: 10.761 ± 0.003 Å
• c: 17.409 ± 0.004 Å
• α: 74.34 ± 0.07°
• β: 72.41 ± 0.05°
• γ: 71.5 ± 0.11°
• Cell volume: 1775.1 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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