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Information card for entry 7151782
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Coordinates | 7151782.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C31 H32 N3 O4.5 |
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Calculated formula | C31 H32 N3 O4.5 |
SMILES | c1(cccc([C@]23CCCC(=O)N2[C@@H](CO3)c2ccccc2)n1)[C@]12CCCC(=O)N1[C@@H](CO2)c1ccccc1.O |
Title of publication | Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids). |
Authors of publication | Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 7 |
Pages of publication | 2175 - 2184 |
a | 9.102 ± 0.002 Å |
b | 18.341 ± 0.005 Å |
c | 32.012 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5344 ± 2 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 | 0.2333 |
Residual factor for significantly intense reflections | 0.1037 |
Weighted residual factors for significantly intense reflections | 0.2595 |
Weighted residual factors for all reflections included in the refinement | 0.3356 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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 |
---|---|---|---|
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. |
7151782.cif |
180303 | 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 7/15/17. |
7151782.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151782.cif |
76865 | 2013-03-21 | smi/7 Adding SMILES for miscelaneous compounds |
7151782.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151782.cif |
21266 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151782, 7151783, 7151784, 7151785, 7151786 via cif-deposit CGI script. |
7151782.cif |
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Users of the data should acknowledge the original authors of the
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