Information card for entry 7151252

Structure parameters

• Common name: furan recepter
• Formula: C24 H18 N6 O
• Calculated formula: C24 H18 N6 O
• SMILES: c12c(cccc1/C=N/Nc1ccccn1)c1c(o2)c(ccc1)/C=N/Nc1ccccn1
• Title of publication: Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.
• Authors of publication: Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 19
• Pages of publication: 3652 - 3663
• a: 13.111 ± 0.003 Å
• b: 10.123 ± 0.002 Å
• c: 14.928 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No