Information card for entry 4129001

Structure parameters

• Formula: C16 H19 N3
• Calculated formula: C16 H19 N3
• SMILES: N(=N/c1ccc(N(C)C)cc1)\c1ccc(c(c1)C)C
• Title of publication: Spatial Photocontrol of the Optical Output from an Organic Crystal Waveguide.
• Authors of publication: Halabi, Jad Mahmoud; Ahmed, Ejaz; Catalano, Luca; Karothu, Durga Prasad; Rezgui, Rachid; Naumov, Panče
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 14966 - 14970
• a: 6.2514 ± 0.0019 Å
• b: 7.289 ± 0.002 Å
• c: 29.77 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1356.5 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No