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Information card for entry 2228131
Preview
Coordinates | 2228131.cif |
---|---|
Structure factors | 2228131.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | methyl <i>rel</i>-(3<i>R</i>,6<i>R</i>,10a<i>S</i>,11<i>S</i>,12a<i>S</i>)- 5-acetoxy-5a-acetoxymethyl-12b-hydroxy-3-methyl- 2,3,3a,5,5a,6,7,8,9,10,10a,11,12,12b-tetradecahydro-4<i>H</i>-1,6- methanocyclopenta[1,8]azuleno[4,3-<i>a-g</i>]indole-11-carboxylate |
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Formula | C27 H37 N O7 |
Calculated formula | C27 H37 N O7 |
SMILES | O[C@]12N3C[C@H]([C@H]1C[C@@H](OC(=O)C)[C@]1([C@H](CCC4=C5[C@H](CC4)[C@@H](C[C@]215)C(=O)OC)C3)COC(=O)C)C |
Title of publication | Yuzurimine from of <i>Daphniphyllum macropodum</i> Miq. |
Authors of publication | Cheng, Ying; He, Xing-Jin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 11 |
Pages of publication | o3013 |
a | 9.598 ± 0.0003 Å |
b | 9.7437 ± 0.0002 Å |
c | 26.0986 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2440.74 ± 0.11 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0565 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
2228131.cif 2228131.hkl |
181202 | 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 2/22/81. |
2228131.cif 2228131.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. |
2228131.cif 2228131.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228131.cif 2228131.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. | 2228131.cif 2228131.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228131.cif 2228131.hkl |
5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228131.cif 2228131.hkl |
5168 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228131 via cif-deposit CGI script. |
2228131.cif |
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Users of the data should acknowledge the original authors of the
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