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Information card for entry 2232688
Preview
Coordinates | 2232688.cif |
---|---|
Structure factors | 2232688.hkl |
Original IUCr paper | HTML |
Chemical name | [8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone |
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Formula | C34 H36 O6 |
Calculated formula | C34 H36 O6 |
SMILES | CCCCOc1ccc(cc1)C(=O)c1c(OC)ccc2c1c(c(cc2)OC)C(=O)c1ccc(cc1)OCCCC |
Title of publication | [8-(4-Butoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-butoxyphenyl)methanone |
Authors of publication | Sasagawa, Kosuke; Muto, Toyokazu; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 12 |
Pages of publication | o3354 |
a | 11.093 ± 0.0002 Å |
b | 20.0537 ± 0.0003 Å |
c | 13.1409 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2923.27 ± 0.08 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 3 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181248 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/26. |
2232688.cif 2232688.hkl |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232688.cif 2232688.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232688.cif 2232688.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. | 2232688.cif 2232688.hkl |
31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232688.cif 2232688.hkl |
31566 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232688 via cif-deposit CGI script. |
2232688.cif |
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Users of the data should acknowledge the original authors of the
structural data.