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Information card for entry 7151777
Preview
Coordinates | 7151777.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H33 N5 O3 |
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Calculated formula | C45 H33 N5 O3 |
SMILES | C1(=c2ccc(=C(c3nc(=C(c4ccc(C(=c5cc(c1n5)N(=O)=O)c1ccccc1)[nH]4)c1ccccc1)cc3)c1ccccc1)[nH]2)c1ccccc1.OC |
Title of publication | Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde. |
Authors of publication | Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 7 |
Pages of publication | 2306 - 2313 |
a | 38.963 ± 0.016 Å |
b | 9.07 ± 0.004 Å |
c | 25.863 ± 0.011 Å |
α | 90° |
β | 130.953 ± 0.005° |
γ | 90° |
Cell volume | 6903 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1951 |
Residual factor for significantly intense reflections | 0.0855 |
Weighted residual factors for significantly intense reflections | 0.2202 |
Weighted residual factors for all reflections included in the refinement | 0.2784 |
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 |
---|---|---|---|
180303 (current) | 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. |
7151777.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151777.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151777.cif |
21262 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151777, 7151778 via cif-deposit CGI script. |
7151777.cif |
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Users of the data should acknowledge the original authors of the
structural data.