Information card for entry 1505976

Structure parameters

• Formula: C25 H32 Cl2 N2 O5
• Calculated formula: C25 H32 Cl2 N2 O5
• SMILES: Cl[C@@H]1CC2=C(OC1(C)C)[C@@](O)(c1c(c(nnc1)C(=O)C)C2=O)C[C@@H]1[C@@](O)(CC[C@H](Cl)C1(C)C)C
• Title of publication: Azamerone, a terpenoid phthalazinone from a marine-derived bacterium related to the genus Streptomyces (Actinomycetales).
• Authors of publication: Cho, Ji Young; Kwon, Hak Cheol; Williams, Philip G.; Jensen, Paul R.; Fenical, William
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 2471 - 2474
• a: 11.487 ± 0.004 Å
• b: 11.553 Å
• c: 20.483 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2718.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No