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Information card for entry 2228565
Preview
Coordinates | 2228565.cif |
---|---|
Structure factors | 2228565.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 3-(4-Fluorophenylsulfonyl)-2-methylnaphtho[1,2-<i>b</i>]furan |
---|---|
Formula | C19 H13 F O3 S |
Calculated formula | C19 H13 F O3 S |
SMILES | S(=O)(=O)(c1c2ccc3ccccc3c2oc1C)c1ccc(F)cc1 |
Title of publication | 3-(4-Fluorophenylsulfonyl)-2-methylnaphtho[1,2-<i>b</i>]furan |
Authors of publication | Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | o3302 |
a | 8.1456 ± 0.0003 Å |
b | 18.4472 ± 0.0005 Å |
c | 10.3618 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1557 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0727 |
Weighted residual factors for all reflections included in the refinement | 0.0749 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2228565.cif 2228565.hkl |
181206 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/85. |
2228565.cif 2228565.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228565.cif 2228565.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228565.cif 2228565.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228565.cif 2228565.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228565.cif 2228565.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228565.cif 2228565.hkl |
5800 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228562, 2228563, 2228564, 2228565, 2228566, 2228567, 2228568, 2228569, 2228570, 2228571 via cif-deposit CGI script. |
2228565.cif |
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Users of the data should acknowledge the original authors of the
structural data.