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Information card for entry 7151139
Preview
Coordinates | 7151139.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C19 H21 N O6 |
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Calculated formula | C19 H21 N O6 |
SMILES | o1ccc2c(OC)c3c(CC(OO)C(=C)C)c(OC)c(OC)cc3nc12 |
Title of publication | Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata. |
Authors of publication | Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2007 |
Journal volume | 5 |
Journal issue | 18 |
Pages of publication | 2983 - 2991 |
a | 14.913 ± 0.003 Å |
b | 15.95 ± 0.003 Å |
c | 14.25 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3389.5 ± 1.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.18 |
Residual factor for significantly intense reflections | 0.0701 |
Weighted residual factors for significantly intense reflections | 0.1614 |
Weighted residual factors for all reflections included in the refinement | 0.2289 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151139.cif |
180297 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/11. |
7151139.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151139.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151139.cif |
1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7151139.cif |
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Users of the data should acknowledge the original authors of the
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