Information card for entry 2225840

Structure parameters

• Chemical name: 2,5,11,14-Tetraoxa-8-azadispiro[13.4.0]nonadeca-15,17,19-triene
• Formula: C14 H21 N O4
• Calculated formula: C14 H21 N O4
• SMILES: C1NCCOCCOc2c(OCCOC1)cccc2
• Title of publication: 2,5,11,14-Tetraoxa-8-azadispiro[13.4.0]nonadeca-15,17,19-triene
• Authors of publication: Gan, Quanying; Yang, Liping; Guo, Peng; Yang, Jin; Duan, Zhongyu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1128
• a: 10.771 ± 0.007 Å
• b: 8.662 ± 0.005 Å
• c: 15.961 ± 0.01 Å
• α: 90°
• β: 105.417 ± 0.011°
• γ: 90°
• Cell volume: 1435.6 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes