Information card for entry 2017517

Structure parameters

• Chemical name: spiro[1,3-dioxane-2,3'-indolin]-2'-one
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• SMILES: C1(=O)C2(c3c(cccc3)N1)OCCCO2
• Title of publication: Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib
• Authors of publication: Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o71 - o78
• a: 9.5406 ± 0.0002 Å
• b: 8.4295 ± 0.0002 Å
• c: 12.4103 ± 0.0003 Å
• α: 90°
• β: 101.956 ± 0.002°
• γ: 90°
• Cell volume: 976.42 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes