Information card for entry 7117398

Structure parameters

• Formula: C13 H12 N3 O2.5
• Calculated formula: C13 H12 N3 O2.5
• Title of publication: An emissive and pH switchable hydrazone-based hydrogel
• Authors of publication: Hai Qian; Ivan Aprahamian
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11158
• a: 23.2307 ± 0.0011 Å
• b: 11.1515 ± 0.0005 Å
• c: 9.2568 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2398.04 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 172.99 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No