Information card for entry 7238706

Structure parameters

• Formula: C12 H14 N4 O2
• Calculated formula: C12 H14 N4 O2
• Title of publication: En route towards α-benzotriazoyl nitroso derivatives
• Authors of publication: Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 24
• Pages of publication: 8941
• a: 5.9246 ± 0.0009 Å
• b: 11.7114 ± 0.0019 Å
• c: 16.898 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1172.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No