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Information card for entry 7230544
Preview
Coordinates | 7230544.cif |
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Original paper (by DOI) | HTML |
Common name | lamivudine perchlorate monohydrate |
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Formula | C8 H14 Cl N3 O8 S |
Calculated formula | C8 H14 Cl N3 O8 S |
Title of publication | Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon |
Authors of publication | da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 22 |
Pages of publication | 3049 |
a | 6.2322 ± 0.0007 Å |
b | 13.2055 ± 0.0015 Å |
c | 17.424 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1434 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0721 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1052 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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228898 (current) | 2019-11-17 | cif/ Updating files of 7230543, 7230544, 7230545, 7230546, 7230547 Original log message: Adding full bibliography for 7230543--7230547.cif. |
7230544.cif |
207438 | 2018-04-23 | cif/ Adding structures of 7230543, 7230544, 7230545, 7230546, 7230547 via cif-deposit CGI script. |
7230544.cif |
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Users of the data should acknowledge the original authors of the
structural data.