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Information card for entry 1503491
Preview
Coordinates | 1503491.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H28 N2 |
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Calculated formula | C30 H28 N2 |
Title of publication | Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors. |
Authors of publication | Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 672 - 675 |
a | 7.5553 ± 0.0007 Å |
b | 10.2402 ± 0.0008 Å |
c | 14.3883 ± 0.0015 Å |
α | 94.865 ± 0.008° |
β | 90.429 ± 0.008° |
γ | 101.756 ± 0.007° |
Cell volume | 1085.56 ± 0.18 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1295 |
Weighted residual factors for all reflections included in the refinement | 0.1333 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503491.cif |
132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
1503491.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503491.cif |
37868 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503491 via cif-deposit CGI script. |
1503491.cif |
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Users of the data should acknowledge the original authors of the
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