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Information card for entry 1506294
Preview
| Coordinates | 1506294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | Cyclo-octafurans |
|---|---|
| Formula | C88 H16 F40 O8 |
| Calculated formula | C88 H16 F40 O8 |
| SMILES | Fc1c(c(F)c(F)c(F)c1F)C1=c2oc(=C(c3oc(cc3)C(=c3oc(=C(c4oc(C(=c5oc(=C(c6c(F)c(F)c(F)c(F)c6F)c6oc(cc6)C(=c6oc(=C(c7c(F)c(F)c(F)c(F)c7F)c7oc1cc7)cc6)c1c(F)c(F)c(F)c(F)c1F)cc5)c1c(F)c(F)c(F)c(F)c1F)cc4)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)cc2 |
| Title of publication | Cyclic oligofurans: one-pot synthesis of 30pi and 40pi expanded porphyrinoids. |
| Authors of publication | Reddy, J. Sreedhar; Mandal, Sukhendu; Anand, Venkataramanarao G. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 24 |
| Pages of publication | 5541 - 5543 |
| a | 16.871 ± 0.005 Å |
| b | 22.046 ± 0.006 Å |
| c | 22.462 ± 0.006 Å |
| α | 90° |
| β | 103.148 ± 0.006° |
| γ | 90° |
| Cell volume | 8135 ± 4 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1468 |
| Residual factor for significantly intense reflections | 0.0995 |
| Weighted residual factors for significantly intense reflections | 0.1754 |
| Weighted residual factors for all reflections included in the refinement | 0.1934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506294.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506294.cif |
| 176729 | 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. |
1506294.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' |
1506294.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506294.cif |
| 48162 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506294 via cif-deposit CGI script. |
1506294.cif |
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Users of the data should acknowledge the original authors of the
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