Information card for entry 1515646

Structure parameters

• Formula: C33.25 H37.25 Cl1.5 N2 O4 Si
• Calculated formula: C33 H37 Cl N2 O4 Si
• SMILES: [Cl-].[Si]([C@H]1[C@@H]2[C@H]3C(=C4C(=O)c5c(OCc6ccccc6)noc5[C@H]([NH+](C)C)[C@@H]4C[C@H]3[C@H]1C=C2)O)(C)(C)c1ccccc1
• Title of publication: A practical, convergent route to the key precursor to the tetracycline antibiotics.
• Authors of publication: Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 1710 - 1718
• a: 8.3338 ± 0.0007 Å
• b: 25.68 ± 0.002 Å
• c: 15.2004 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3253.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No