Information card for entry 4105514

Structure parameters

• Formula: C19 H17 N3 O2
• Calculated formula: C19 H17 N3 O2
• SMILES: O(C(=O)/C(=N/Nc1cccc2ccccc12)c1ncccc1)CC
• Title of publication: A pH Activated Configurational Rotary Switch: Controlling the E/Z Isomerization in Hydrazones
• Authors of publication: Shainaz M. Landge; Ivan Aprahamian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18269 - 18271
• a: 19.5674 ± 0.0005 Å
• b: 21.3428 ± 0.0005 Å
• c: 7.7545 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3238.46 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No