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Information card for entry 1504537
Preview
Coordinates | 1504537.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Se-Calix[5]phyrin |
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Formula | C67 H49 F15 N4 Se |
Calculated formula | C67 H48.2 F15 N4 Se |
SMILES | [se]1c2ccc1=C(c1[nH]c(cc1)C(=c1nc(cc1)C(c1nc(cc1)=C(c1[nH]c(cc1)C=2c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cc(cc1C)C)C.CCCCCC |
Title of publication | One-pot synthesis of core-modified meso-aryl calix[5]phyrin and N-fused [24]pentaphyrin. |
Authors of publication | Gokulnath, Sabapathi; Chandrashekar, Tavarekere K. |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 4 |
Pages of publication | 637 - 640 |
a | 14.317 Å |
b | 14.494 Å |
c | 15.344 Å |
α | 87.74° |
β | 69.23° |
γ | 74.18° |
Cell volume | 2858.55 Å3 |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.128 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1504537.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504537.cif |
42151 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504537 via cif-deposit CGI script. |
1504537.cif |
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Users of the data should acknowledge the original authors of the
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