Information card for entry 7052833

Structure parameters

• Chemical name: bis{N-(2-pyridyl)aminoethyl}carbonate
• Formula: C15 H18 N4 O3
• Calculated formula: C15 H18 N4 O3
• SMILES: c1(ccccn1)NCCOC(=O)OCCNc1ccccn1
• Title of publication: Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups
• Authors of publication: Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 603
• a: 32.334 ± 0.007 Å
• b: 5.791 ± 0.0012 Å
• c: 16.392 ± 0.003 Å
• α: 90°
• β: 104.42 ± 0.03°
• γ: 90°
• Cell volume: 2972.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.808 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No