Information card for entry 1504907

Structure parameters

• Formula: C23 H20 Cl3 N3 O3
• Calculated formula: C23 H20 Cl3 N3 O3
• SMILES: n1c(cccc1C)NC(=O)c1ccc(cc1)/N=C/c1ccc(cc1)CC(=O)O.C(Cl)(Cl)Cl
• Title of publication: Manipulating replication processes within a dynamic covalent framework.
• Authors of publication: del Amo, Vicente; Slawin, Alexandra M. Z.; Philp, Douglas
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4589 - 4592
• a: 5.6969 ± 0.0007 Å
• b: 8.6242 ± 0.001 Å
• c: 23.496 ± 0.003 Å
• α: 93.599 ± 0.007°
• β: 90.87 ± 0.007°
• γ: 102.764 ± 0.006°
• Cell volume: 1123.1 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No