Information card for entry 4502583

Structure parameters

• Formula: C11 H14 N6 O6
• Calculated formula: C11 H14 N6 O6
• SMILES: c1(=O)nc(cc[nH]1)N.c1(=O)nc(cc[nH]1)N.C(=O)(CC(=O)O)O
• Title of publication: Screening, Manufacturing, Photoluminescence, and Molecular Recognition of Co-Crystals: Cytosine with Dicarboxylic Acids
• Authors of publication: Lee, Tu; Wang, Pu Yun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1419
• a: 8.768 ± 0.0003 Å
• b: 8.8946 ± 0.0003 Å
• c: 9.0259 ± 0.0003 Å
• α: 95.739 ± 0.002°
• β: 96.267 ± 0.002°
• γ: 99.075 ± 0.002°
• Cell volume: 686 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No