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Information card for entry 4503628
Preview
Coordinates | 4503628.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H18 N2 O4 |
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Calculated formula | C16 H18 N2 O4 |
Title of publication | Polymorphism of a Simple Organic Amide |
Authors of publication | Hauser, Melanie R.; Zhakarov, Lev; Doxsee, Kenneth M.; Li, Tonglei |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 12 |
Pages of publication | 4428 |
a | 14.167 ± 0.003 Å |
b | 5.6343 ± 0.0013 Å |
c | 18.694 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1492.2 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1035 |
Weighted residual factors for all reflections included in the refinement | 0.1086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179571 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/36. |
4503628.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4503628.cif |
41672 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503628 via cif-deposit CGI script. |
4503628.cif |
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Users of the data should acknowledge the original authors of the
structural data.