Information card for entry 4020711

Structure parameters

• Formula: C13 H20 Cl N2 Na2 O16
• Calculated formula: C13 H20 Cl2 N2 Na2 O16
• SMILES: C1(C(=O)OCCOCCOCCOCCOCCOC1=O)=N#N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Na+].[Na+]
• 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: 16.419 ± 0.003 Å
• b: 8.0011 ± 0.0014 Å
• c: 17.43 ± 0.005 Å
• α: 90°
• β: 91.24 ± 0.02°
• γ: 90°
• Cell volume: 2289.3 ± 1 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No