Information card for entry 1508718

Structure parameters

• Formula: C23 H30 N4 O9
• Calculated formula: C23 H30 N4 O9
• SMILES: c1(c(cc(cc1)N(=O)=O)N(=O)=O)N/N=C/C(=C/C=C/CC)/[C@@H](C(=O)CC[C@@H]1CO1)O.CC(=O)OCC
• Title of publication: Structural diversity of new C13-polyketides produced by Chaetomium mollipilium cultivated in the presence of a NAD(+)-dependent histone deacetylase inhibitor.
• Authors of publication: Asai, Teigo; Morita, Shuntaro; Shirata, Naoki; Taniguchi, Tohru; Monde, Kenji; Sakurai, Hiroaki; Ozeki, Tomoji; Oshima, Yoshiteru
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5456 - 5459
• a: 6.9403 ± 0.0002 Å
• b: 14.831 ± 0.0003 Å
• c: 24.1141 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2482.1 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No