Information card for entry 1517834

Structure parameters

• Formula: C16 H15 N5 O2
• Calculated formula: C16 H15 N5 O2
• SMILES: O(C(=O)C(=N\Nc1cccc2cccnc12)\c1[nH]ccn1)CC
• Title of publication: Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch
• Authors of publication: Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 209
• a: 11.641 ± 0.0008 Å
• b: 8.7512 ± 0.0006 Å
• c: 14.7356 ± 0.001 Å
• α: 90°
• β: 92.598 ± 0.001°
• γ: 90°
• Cell volume: 1499.61 ± 0.18 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: 0.0544
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No