Information card for entry 1516722

Structure parameters

• Common name: VBT3Pyr
• Chemical name: VBT3Pyr
• Formula: C19 H17 N3 O2
• Calculated formula: C19 H17 N3 O2
• SMILES: N1C(=O)N(C=C(C1=O)C)Cc1ccc(/C=C/c2cnccc2)cc1
• 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: 4.87 ± 0.001 Å
• b: 10.62 ± 0.002 Å
• c: 15.26 ± 0.003 Å
• α: 100.47 ± 0.03°
• β: 94.59 ± 0.03°
• γ: 93.98 ± 0.03°
• Cell volume: 770.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No