Information card for entry 1552803

Structure parameters

• Formula: C16 H16 N4 O
• Calculated formula: C16 H16 N4 O
• Title of publication: Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles.
• Authors of publication: Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2018
• Journal volume: 122
• Journal issue: 11
• Pages of publication: 2956 - 2973
• a: 13.2955 ± 0.0007 Å
• b: 13.5219 ± 0.0007 Å
• c: 16.0082 ± 0.0009 Å
• α: 88.6723 ± 0.0007°
• β: 77.3876 ± 0.0007°
• γ: 86.5291 ± 0.0007°
• Cell volume: 2803.2 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No