Information card for entry 1551882

Structure parameters

• Formula: C17 H17 N5 O2
• Calculated formula: C17 H17 N5 O2
• SMILES: O(CC)C(=O)/C(=N/Nc1c2ncccc2ccc1)c1nccn1C
• Title of publication: A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays
• Authors of publication: Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian
• Journal of publication: Nature Chemistry
• Year of publication: 2012
• Journal volume: 4
• Pages of publication: 757 - 762
• a: 15.1905 ± 0.0002 Å
• b: 14.3672 ± 0.0002 Å
• c: 7.2454 ± 0.0001 Å
• α: 90°
• β: 96.624 ± 0.001°
• γ: 90°
• Cell volume: 1570.72 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No