Information card for entry 4020710

Structure parameters

• Formula: C14 H23 F6 K N3 O8 P
• Calculated formula: C15 H23 F6 K N3 O8 P
• SMILES: C1(C(=O)[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O](C1=O)[K]23456)=N#N.CC#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation
• Authors of publication: Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9867 - 9873
• a: 11.3291 ± 0.0012 Å
• b: 21.53 ± 0.003 Å
• c: 10.342 ± 0.002 Å
• α: 90°
• β: 98.036 ± 0.01°
• γ: 90°
• Cell volume: 2497.9 ± 0.6 ų
• Cell temperature: 298 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