Information card for entry 7229029

Structure parameters

• Common name: 3f
• Chemical name: SG-HQ1
• Formula: C37 H30 N2 O5
• Calculated formula: C37 H30 N2 O5
• SMILES: O=C(Oc1c2nc(N)ccc2ccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1
• Title of publication: Chemoselective acylation of 2-amino-8-quinolinol in the generation of C2-amides or C8-esters
• Authors of publication: Park, Yongseok; Fei, Xiang; Yuan, Yue; Lee, Sanha; Hur, Joonseong; Park, Sung Jean; Jung, Jae-Kyung; Seo, Seung-Yong
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 67
• Pages of publication: 41955
• a: 17.841 ± 0.004 Å
• b: 8.9458 ± 0.0016 Å
• c: 18.773 ± 0.003 Å
• α: 90°
• β: 94.309 ± 0.015°
• γ: 90°
• Cell volume: 2987.7 ± 1 ų
• Cell temperature: 297 ± 0.3 K
• Ambient diffraction temperature: 297 ± 0.3 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: 0.1821
• Residual factor for significantly intense reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.3203
• Weighted residual factors for all reflections included in the refinement: 0.3937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No