Information card for entry 1505216

Structure parameters

• Formula: C19 H29 N O4
• Calculated formula: C19 H29 N O4
• SMILES: O=C1N[C@]2(C(=O)O[C@]2([C@H]1CCCCCC)C)[C@@H](O)[C@@H]1C=CCCC1
• Title of publication: Cinnabaramides A-G: analogues of lactacystin and salinosporamide from a terrestrial streptomycete.
• Authors of publication: Stadler, Marc; Bitzer, Jens; Mayer-Bartschmid, Anke; Müller, Hartwig; Benet-Buchholz, Jordi; Gantner, Florian; Tichy, Hans-Volker; Reinemer, Peter; Bacon, Kevin B.
• Journal of publication: Journal of natural products
• Year of publication: 2007
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 246 - 252
• a: 13.0624 ± 0.0002 Å
• b: 29.0453 ± 0.0005 Å
• c: 58.4559 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22178.2 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1039
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No