Information card for entry 2201718

Structure parameters

• Chemical name: 1-Acetyl-1,2-dihydro-2-oxotrispiro[indole-3,2'-oxetane-3',1'';4',1'''- dicyclopropane]
• Formula: C16 H15 N O3
• Calculated formula: C16 H15 N O3
• SMILES: O=C1N(c2c(C31OC1(C43CC4)CC1)cccc2)C(=O)C
• Title of publication: 1-Acetyl-1,2-dihydro-2-oxotrispiro[indole-3,2'-oxetane-3',1''; 4',1'''-dicyclopropane]
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1055 - o1056
• a: 10.4584 ± 0.0001 Å
• b: 9.2661 ± 0.0002 Å
• c: 13.7923 ± 0.0003 Å
• α: 90°
• β: 90.329 ± 0.001°
• γ: 90°
• Cell volume: 1336.57 ± 0.04 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: 0.091
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No