Information card for entry 7240784

Structure parameters

• Common name: 3-sec-butyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H) ‒dione
• Chemical name: 3-sec-butyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H) ‒dione
• Formula: C32 H37 Cl Mg N4 O6
• Calculated formula: C32 H37 Cl Mg N4 O6
• Title of publication: Total synthesis of quinolactacin-H from marine-derived Penicillium sp. ENP701 and biological activities
• Authors of publication: Zhu, Jin-xin; Lu, Yaojia; Chen, Jun; Chen, Jianwei; Zhang, Huawei; Bao, Xiaoze; Ye, Xinyi; Wang, Hong
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 41
• Pages of publication: 24251 - 24254
• a: 11.1374 ± 0.0006 Å
• b: 11.874 ± 0.0006 Å
• c: 13.7441 ± 0.0009 Å
• α: 84.977 ± 0.002°
• β: 82.117 ± 0.002°
• γ: 72.438 ± 0.001°
• Cell volume: 1714.45 ± 0.17 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.2572
• Weighted residual factors for all reflections included in the refinement: 0.2686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No