Information card for entry 1516725

Structure parameters

• Common name: VMT4PyrDimer
• Chemical name: VMT4PyrDimer
• Formula: C40 H38 N6 O4
• Calculated formula: C40 H38 N6 O4
• SMILES: O=C1N(C=C(C(=O)N1C)C)Cc1ccc(cc1)[C@H]1[C@H](c2ccncc2)[C@H](c2ccc(CN3C(=O)N(C)C(=O)C(C)=C3)cc2)[C@H]1c1ccncc1
• Title of publication: Synthesis of thyminyl stilbazoles and their photo-reactivity.
• Authors of publication: Johnston, Priscilla; Nishikami, Yuki; Saito, Kei
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2014
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 1290 - 1296
• a: 8.188 ± 0.0016 Å
• b: 12.063 ± 0.002 Å
• c: 17.14 ± 0.003 Å
• α: 90°
• β: 103.02 ± 0.03°
• γ: 90°
• Cell volume: 1649.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.2746
• Weighted residual factors for all reflections included in the refinement: 0.3284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No