Information card for entry 2217956

Structure parameters

• Chemical name: 1-Benzyl-3-(2-furylmethyl)-1,2,3,4,5,6- hexahydrospiro[benzo[<i>h</i>]quinazoline-5,1'-cyclohexane]-2,4-dione
• Formula: C29 H28 N2 O3
• Calculated formula: C29 H28 N2 O3
• SMILES: O=C1N(Cc2ccccc2)C2c3ccccc3CC3(C=2C(=O)N1Cc1ccco1)CCCCC3
• Title of publication: 1-Benzyl-3-(2-furylmethyl)-1,2,3,4,5,6-hexahydrospiro[benzo[<i>h</i>]quinazoline-5,1'-cyclohexane]-2,4-dione
• Authors of publication: Tamazyan, Rafael; Ayvazyan, Armen; Markosyan, Ashot; Gabrielyan, Siranush
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o748
• a: 10.615 ± 0.002 Å
• b: 11.472 ± 0.002 Å
• c: 11.923 ± 0.002 Å
• α: 109.9 ± 0.02°
• β: 97.95 ± 0.02°
• γ: 115.41 ± 0.02°
• Cell volume: 1162 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes