Information card for entry 1501797

Structure parameters

• Formula: C12 H17 N3 O7
• Calculated formula: C12 H17 N3 O7
• SMILES: O=C(O)c1c(N/N=C(C(=O)NCC(=O)O)\C)cccc1.O.O
• Title of publication: N-hydroxypyridones, phenylhydrazones, and a quinazolinone from Isaria farinosa.
• Authors of publication: Ma, Cheng; Li, Yan; Niu, Shubin; Zhang, Hua; Liu, Xingzhong; Che, Yongsheng
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 32 - 37
• a: 8.933 ± 0.002 Å
• b: 9.339 ± 0.002 Å
• c: 9.9444 ± 0.0018 Å
• α: 116.449 ± 0.007°
• β: 100.762 ± 0.011°
• γ: 92.763 ± 0.012°
• Cell volume: 721.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No