Information card for entry 7238705

Structure parameters

• Formula: C12 H14 N4 O1.063
• Calculated formula: C12 H14 N4 O1.063
• 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: 11.7352 ± 0.0005 Å
• b: 8.5659 ± 0.0003 Å
• c: 12.1021 ± 0.0004 Å
• α: 90°
• β: 110.616 ± 0.002°
• γ: 90°
• Cell volume: 1138.63 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No