Information card for entry 4023708

Structure parameters

• Formula: C33 H28 Cl3 F N4 O3
• Calculated formula: C33 H28 Cl3 F N4 O3
• SMILES: c1(ccc(cc1)N(C(=O)C)C1c2c(c3ccccc3)nnn2Cc2c(c3c1cccc3)cc(c(c2)OC)OC)F.C(Cl)(Cl)Cl
• Title of publication: Diversity Oriented Microwave-Assisted Synthesis of (-)-Steganacin Aza-Analogues
• Authors of publication: Nuria Mont; Vaibhav Pravinchandra Mehta; Prasad Appukkuttan; Tetyana Beryozkina; Suzzane Toppet; Kristof Van Hecke; Luc Van Meervelt; Arnout Voet; Marc DeMaeyer; Erik Van der Eycken
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7509 - 7516
• a: 10.4953 ± 0.0008 Å
• b: 11.3283 ± 0.0008 Å
• c: 13.963 ± 0.001 Å
• α: 87.187 ± 0.004°
• β: 71.842 ± 0.005°
• γ: 73.631 ± 0.005°
• Cell volume: 1512.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0557
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No