Information card for entry 7103192

Structure parameters

• Formula: C40 H44 N4 O8
• Calculated formula: C40 H44 N4 O8
• SMILES: N(=Nc1c(cccc1)OCC(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C)c1ccccc1OCC(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C
• Title of publication: Design, synthesis and DNA-cleaving efficiency of photoswitchable dimeric azobenzene-based C2-symmetric enediynes.
• Authors of publication: Basak, Amit; Mitra, Debarati; Kar, Moumita; Biradha, Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3067 - 3069
• a: 9.0546 ± 0.0018 Å
• b: 10.325 ± 0.002 Å
• c: 22.378 ± 0.005 Å
• α: 80.108 ± 0.006°
• β: 81.866 ± 0.006°
• γ: 65.132 ± 0.005°
• Cell volume: 1864.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No