Information card for entry 2008995

Structure parameters

• Chemical name: 8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triaza-spiro[4.5]deca- 2,6,9-triene
• Formula: C17 H21 N3 O3
• Calculated formula: C17 H21 N3 O3
• SMILES: N1=C([C@]2(N=C([C@@H]1C(C)C)OC)ON=C(C2)c1ccccc1)OC
• Title of publication: 8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triazaspiro[4.5]deca-2,6,9-triene
• Authors of publication: Nieger, Martin; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1666 - 1667
• a: 10.087 ± 0.001 Å
• b: 12.454 ± 0.002 Å
• c: 14.177 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No