Information card for entry 2017516

Structure parameters

• Chemical name: 3-cyclohexylidene-1<i>H</i>-indol-2(3<i>H</i>)-one
• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: O=C1Nc2c(C1=C1CCCCC1)cccc2
• 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: 5.3732 ± 0.0001 Å
• b: 13.4962 ± 0.0004 Å
• c: 15.8088 ± 0.0005 Å
• α: 95.389 ± 0.001°
• β: 98.498 ± 0.002°
• γ: 101.201 ± 0.002°
• Cell volume: 1103.32 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes