Information card for entry 2207096

Structure parameters

• Common name: N-(nitroso)-8,9-benzo-1-aza-4,7,10,13-tetraoxacyclopentadeca-8-ene
• Chemical name: 11-Nitroso-6,7,10,11,12,13,15,16-octahydro-9H-5,8,14,17- tetraoxa-11-azabenzocyclopentadecene
• Formula: C14 H20 N2 O5
• Calculated formula: C14 H20 N2 O5
• SMILES: N(=O)N1CCOCCOc2c(OCCOCC1)cccc2
• Title of publication: 11-Nitroso-6,7,10,11,12,13,15,16-octahydro-9<i>H</i>-5,8,14,17-tetraoxa-11-azabenzocyclopentadecene
• Authors of publication: Simonov, Yurii A.; Gonta, Maria V.; Yavolovskii, Arkadii A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3136 - o3139
• a: 8.3002 ± 0.0006 Å
• b: 20.6868 ± 0.0014 Å
• c: 8.5584 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1469.52 ± 0.18 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes