Information card for entry 4502089

Structure parameters

• Common name: 7,16-Diazonia-18-crown-6 bis(salicylate) trihydrate
• Chemical name: 1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(2-hydroxybenzoate) trihydrate
• Formula: C26 H44 N2 O13
• Calculated formula: C26 H38 N2 O12.709
• Title of publication: Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers†
• Authors of publication: Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 5210
• a: 9.434 ± 0.002 Å
• b: 12.587 ± 0.003 Å
• c: 13.843 ± 0.002 Å
• α: 98.175 ± 0.004°
• β: 90.721 ± 0.002°
• γ: 111.355 ± 0.003°
• Cell volume: 1511.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.181
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2341
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No