Information card for entry 2000911

Structure parameters

• Formula: C7 H8 N2 O3
• Calculated formula: C7 H8 N2 O3
• Title of publication: Structure of 1-acetylthymine
• Authors of publication: Tari, L. W.; Secco, A. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 905 - 907
• a: 5.074 ± 0.003 Å
• b: 8.611 ± 0.003 Å
• c: 17.476 ± 0.004 Å
• α: 90°
• β: 94.57 ± 0.04°
• γ: 90°
• Cell volume: 761.1 ± 0.6 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No