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Information card for entry 4502030
Preview
Coordinates | 4502030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H21 O2 |
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Calculated formula | C13 H21 O2 |
Title of publication | The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30† |
Authors of publication | Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2010 |
Journal volume | 10 |
Journal issue | 10 |
Pages of publication | 4582 |
a | 8.997 ± 0.004 Å |
b | 15.416 ± 0.005 Å |
c | 9.007 ± 0.003 Å |
α | 90° |
β | 102.86 ± 0.02° |
γ | 90° |
Cell volume | 1217.9 ± 0.8 Å3 |
Cell temperature | 294 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for all reflections included in the refinement | 0.055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179551 (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 4/50/20. |
4502030.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502030.cif |
36209 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502030 via cif-deposit CGI script. |
4502030.cif |
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Users of the data should acknowledge the original authors of the
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