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Information card for entry 1100189
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Coordinates | 1100189.cif |
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Original paper (by DOI) | HTML |
Chemical name | ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate |
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Formula | C22 H28.66 N2 O2.33 |
Calculated formula | C26 H38 N2 O3 |
Title of publication | Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution |
Authors of publication | Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt |
Journal of publication | Synthesis |
Year of publication | 2001 |
Journal volume | 2001 |
Journal issue | 9 |
Pages of publication | 1395 - 1405 |
a | 7.6041 ± 0.0008 Å |
b | 15.9342 ± 0.0011 Å |
c | 16.4592 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1994.28 Å3 |
Ambient diffraction temperature | 173 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 significantly intense reflections | 3.05 |
Weighted residual factors for significantly intense reflections | 3.05 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178092 (current) | 2016-03-10 | cif/1/10/01/ (antanas@echidna.ibt.lt) Updating bibliography for entries 1100187, 1100188, 1100189, 1100190. |
1100189.cif |
130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100189.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100189.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1100189.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1100189.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100189.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1100189.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1100189.cif |
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Users of the data should acknowledge the original authors of the
structural data.