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Information card for entry 1503706
Preview
Coordinates | 1503706.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27.667 H35.667 N O10.667 |
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Calculated formula | C27.65 H29 N O10.65 |
SMILES | O1c2c(C(=O)C=C1C)c(O)cc(O)c2[C@@H]1[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)CN(CC1)C.CO.CO |
Title of publication | Chrotacumines A-D, chromone alkaloids from Dysoxylum acutangulum. |
Authors of publication | Ismail, Intan Safinar; Nagakura, Yuta; Hirasawa, Yusuke; Hosoya, Takahiro; Lazim, Mohd Izwan Mohd; Lajis, Nordin Hj; Shiro, Motoo; Morita, Hiroshi |
Journal of publication | Journal of natural products |
Year of publication | 2009 |
Journal volume | 72 |
Journal issue | 10 |
Pages of publication | 1879 - 1883 |
a | 19.2969 ± 0.0004 Å |
b | 19.2969 ± 0.0004 Å |
c | 19.1134 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6163.7 ± 0.3 Å3 |
Cell temperature | 93.1 K |
Number of distinct elements | 4 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for all reflections included in the refinement | 0.1358 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1503706.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503706.cif |
39005 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503706 via cif-deposit CGI script. |
1503706.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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Users of the data should acknowledge the original authors of the
structural data.