Information card for entry 7122624

Structure parameters

• Formula: C9 H9 N3 O
• Calculated formula: C9 H9 N3 O
• Title of publication: Hydrophilic azaspiroalkenes as robust bioorthogonal reporters.
• Authors of publication: An, Peng; Wu, Hsuan-Yi; Lewandowski, Tracey M.; Lin, Qing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 99
• Pages of publication: 14005 - 14008
• a: 6.1464 ± 0.0011 Å
• b: 6.8359 ± 0.0012 Å
• c: 19.339 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 812.6 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No