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Information card for entry 1507255
Preview
Coordinates | 1507255.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H24 O5 |
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Calculated formula | C15 H23.975 O5 |
Title of publication | Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. |
Authors of publication | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D |
Journal of publication | Organic letters |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 5 |
Pages of publication | 641 - 644 |
a | 9.05 ± 0.0004 Å |
b | 12.963 ± 0.0005 Å |
c | 14.175 ± 0.0007 Å |
α | 107.348 ± 0.002° |
β | 91.91 ± 0.002° |
γ | 102.552 ± 0.002° |
Cell volume | 1540.74 ± 0.12 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1182 |
Residual factor for significantly intense reflections | 0.0721 |
Weighted residual factors for significantly intense reflections | 0.1644 |
Weighted residual factors for all reflections included in the refinement | 0.194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507255.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507255.cif |
53772 | 2012-04-20 | cif/ Adding structures of 1507252, 1507253, 1507254, 1507255, 1507256, 1507257, 1507258 via cif-deposit CGI script. |
1507255.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.