Information card for entry 7153021

Structure parameters

• Formula: C26 H41 N O5 Si
• Calculated formula: C26 H41 N O5 Si
• SMILES: [Si](O[C@@H](C[C@H](OC)[C@H](C(=O)N1[C@H](Cc2ccccc2)COC1=O)C)CC=C)(C(C)(C)C)(C)C
• Title of publication: Synthesis and biological evaluation of truncated α-tubulin-binding pironetin analogues lacking alkyl pendants in the side chain or the dihydropyrone ring.
• Authors of publication: Paños, Julián; Díaz-Oltra, Santiago; Sánchez-Peris, María; García-Pla, Jorge; Murga, Juan; Falomir, Eva; Carda, Miguel; Redondo-Horcajo, Mariano; Díaz, J Fernando; Barasoain, Isabel; Marco, J. Alberto
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 35
• Pages of publication: 5809 - 5826
• a: 8.6842 ± 0.0005 Å
• b: 8.7472 ± 0.0006 Å
• c: 18.5924 ± 0.0013 Å
• α: 90°
• β: 93.142 ± 0.006°
• γ: 90°
• Cell volume: 1410.2 ± 0.16 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No