Information card for entry 7029517

Structure parameters

• Formula: C24 H21 N O7
• Calculated formula: C24 H21 N O7
• SMILES: Oc1ccccc1N\C(=C1/C(=O)C=C2Oc3c([C@@]2(C1=O)C)c(O)c(c(O)c3C(=O)C)C)C
• Title of publication: The synthesis, characterization, antimicrobial and antimutagenic activities of hydroxyphenylimino ligands and their metal complexes of usnic acid isolated from Usnea longissima.
• Authors of publication: Koçer, Sibel; Uruş, Serhan; Cakır, Ahmet; Güllüce, Medine; Dığrak, Metin; Alan, Yusuf; Aslan, Ali; Tümer, Mehmet; Karadayı, Mehmet; Kazaz, Cavit; Dal, Hakan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6148 - 6164
• a: 7.782 ± 0.003 Å
• b: 9.277 ± 0.003 Å
• c: 14.065 ± 0.005 Å
• α: 90°
• β: 100.13 ± 0.02°
• γ: 90°
• Cell volume: 999.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1685
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No