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Information card for entry 2228448
Preview
Coordinates | 2228448.cif |
---|---|
Structure factors | 2228448.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Common name | Artonol B |
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Chemical name | 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-<i>b</i>]pyrano[3,2- <i>h</i>]xanthene-7,11(3<i>H</i>,9<i>H</i>)-dione |
Formula | C24 H20 O7 |
Calculated formula | C24 H20 O7 |
SMILES | O1c2c(C(=O)c3c1c(c1c(c3)C(OC1=O)(C)C)C(=O)C)c(O)cc1c2C=CC(O1)(C)C |
Title of publication | 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-<i>b</i>]pyrano[3,2-<i>h</i>]xanthene-7,11(3<i>H</i>,9<i>H</i>)-dione |
Authors of publication | Ee, Gwendoline Cheng Lian; Teo, Siow Hwa; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | o3331 - o3332 |
a | 36.511 ± 0.002 Å |
b | 5.3275 ± 0.0002 Å |
c | 20.0218 ± 0.0008 Å |
α | 90° |
β | 96.318 ± 0.005° |
γ | 90° |
Cell volume | 3870.8 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
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 | 0.0425 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for all reflections | 0.1102 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1102 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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. |
2228448.cif 2228448.hkl |
181205 | 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 2/22/84. |
2228448.cif 2228448.hkl |
176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2228448.cif 2228448.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228448.cif 2228448.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. | 2228448.cif 2228448.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228448.cif 2228448.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228448.cif 2228448.hkl |
5788 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228442, 2228443, 2228444, 2228445, 2228446, 2228447, 2228448, 2228449, 2228450, 2228451 via cif-deposit CGI script. |
2228448.cif |
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Users of the data should acknowledge the original authors of the
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