Information card for entry 4315018

Structure parameters

• Common name: Boc protected adenine amine
• Formula: C12 H18 N6 O2
• Calculated formula: C12 H18 N6 O2
• SMILES: c1nc(c2c(n1)n(cn2)CCNC(=O)OC(C)(C)C)N
• Title of publication: Silver-Guided Excimer Emission in an Adenine-Pyrene Conjugate: Fluorescence Lifetime and Crystal Studies
• Authors of publication: Mrituanjay D. Pandey; Ashutosh Kumar Mishra; Vadapalli Chandrasekhar; Sandeep Verma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2020 - 2022
• a: 13.245 ± 0.005 Å
• b: 12.702 ± 0.005 Å
• c: 8.574 ± 0.005 Å
• α: 90 ± 0.005°
• β: 106.846 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1380.6 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1327
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2768
• Weighted residual factors for all reflections included in the refinement: 0.3166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No