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Information card for entry 2229670
Preview
Coordinates | 2229670.cif |
---|---|
Structure factors | 2229670.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Common name | Epielemadienolic acid |
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Chemical name | 3α-Hydroxytirucalla-8,24-dien-21-oic acid |
Formula | C30 H48 O3 |
Calculated formula | C30 H48 O3 |
SMILES | OC(=O)[C@H]([C@H]1[C@@]2(CCC3=C(CC[C@H]4C([C@H](O)CC[C@]34C)(C)C)[C@]2(CC1)C)C)CCC=C(C)C |
Title of publication | 3α-Hydroxytirucalla-8,24-dien-21-oic acid |
Authors of publication | Yousuf, S.; Kamdem, R. S. T.; Ngadjui, B. T.; Wafo, P.; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | o937 - o938 |
a | 11.2794 ± 0.0002 Å |
b | 11.2794 ± 0.0002 Å |
c | 36.6986 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4043.45 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 152 |
Hermann-Mauguin space group symbol | P 31 2 1 |
Hall space group symbol | P 31 2" |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2229670.cif 2229670.hkl |
181217 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/96. |
2229670.cif 2229670.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229670.cif 2229670.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229670.cif 2229670.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2229670.cif 2229670.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229670.cif 2229670.hkl |
19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229670.cif 2229670.hkl |
19136 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229670 via cif-deposit CGI script. |
2229670.cif |
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Users of the data should acknowledge the original authors of the
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