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Information card for entry 7050155
Preview
Coordinates | 7050155.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | pentadecanoic acid |
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Chemical name | pentadecanoic acid |
Formula | C15 H30 O2 |
Calculated formula | C15 H30 O2 |
SMILES | OC(=O)CCCCCCCCCCCCCC |
Title of publication | On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/ |
Authors of publication | Bond, Andrew D. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2004 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 104 |
a | 69.258 ± 0.003 Å |
b | 4.9556 ± 0.0002 Å |
c | 9.7197 ± 0.0004 Å |
α | 90° |
β | 98.024 ± 0.002° |
γ | 90° |
Cell volume | 3303.3 ± 0.2 Å3 |
Cell temperature | 330 ± 2 K |
Ambient diffraction temperature | 330 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1315 |
Residual factor for significantly intense reflections | 0.0697 |
Weighted residual factors for significantly intense reflections | 0.1564 |
Weighted residual factors for all reflections included in the refinement | 0.1889 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7050155.cif |
202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7050155.cif |
180055 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/01. |
7050155.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7050155.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7050155.cif |
3898 | 2010-12-09 | cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line. |
7050155.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7050155.cif |
853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
7050155.cif |
720 | 2009-05-13 | cod/cif/: Adding loop_ token in front of the _publ_author_name tag in all COD entries where _publ_author_name was not in a loop (this tag is loop-mandatory). |
7050155.cif |
148 | 2008-02-23 | 20 files corrected. |
7050155.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7050155.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7050155.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7050155.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7050155.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.