Information card for entry 4033612

Structure parameters

• Formula: C15 H17 N3 O
• Calculated formula: C15 H17 N3 O
• SMILES: n1ccccc1/C=C/c1cccc(n1)N(C)CCO
• Title of publication: Fluorescent 2-(Pyridin-2-yl)vinyl Pyridine Dyes and Their Thermocontrolled Release.
• Authors of publication: Witkowska, Agnieszka; Brzezinska, Jolanta; Pedzinski, Tomasz; Chmielewski, Marcin K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 13447 - 13456
• a: 12.88 ± 0.003 Å
• b: 16.51 ± 0.003 Å
• c: 6.395 ± 0.0013 Å
• α: 90°
• β: 99.63 ± 0.03°
• γ: 90°
• Cell volume: 1340.7 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.89429 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No