Information card for entry 2005032

Structure parameters

• Chemical name: 1:2 complex of 1,4,10-trioxa-7,13-diazacyclopentadecane and picric acid.
• Formula: C22 H28 N8 O17
• Calculated formula: C22 H28 N8 O17
• Title of publication: A 1:2 Host‒Guest Complex of Diaza-15-crown-5 with Picric Acid
• Authors of publication: Saleh, M. I.; Salhin, A.; Saad, B.; Sivakumar, K.; Fun, H.-K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1509 - 1512
• a: 17.832 ± 0.002 Å
• b: 15.088 ± 0.001 Å
• c: 11.023 ± 0.001 Å
• α: 90°
• β: 103.26 ± 0.01°
• γ: 90°
• Cell volume: 2886.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.1343
• Weighted residual factors for significantly intense reflections: 0.1219
• Goodness-of-fit parameter for all reflections: 0.981
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No