Information card for entry 7154763

Structure parameters

• Formula: C24 H26 N4 O8
• Calculated formula: C24 H26 N4 O8
• SMILES: O=C(O[C@H]1C(=O)OCC1(C)C)[C@H]1CC=C[C@H]2[C@@H]1C=C(C2)C(=N\Nc1c(N(=O)=O)cc(N(=O)=O)cc1)\C
• Title of publication: Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays.
• Authors of publication: Muthukumarasamy, Kalai Mangai; Handore, Kishor L.; Kakade, Dipti N.; Shinde, Madhuri V.; Ranjan, Shashi; Kumar, Naveen; Sehrawat, Seema; Sachidanandan, Chetana; Reddy, D. Srinivasa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1569 - 1578
• a: 5.9435 ± 0.0004 Å
• b: 12.4041 ± 0.0008 Å
• c: 16.5108 ± 0.0011 Å
• α: 90°
• β: 92.519 ± 0.004°
• γ: 90°
• Cell volume: 1216.06 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No