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Information card for entry 2230485
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| Coordinates | 2230485.cif |
|---|---|
| Structure factors | 2230485.hkl |
| Original IUCr paper | HTML |
| Common name | Hopeahainol C monohydrate |
|---|---|
| Chemical name | 3,11-bis(4-hydroxyphenyl)-4,12- dioxapentacyclo[8.6.1.1^2,5^.0^13,17^.0^9,18^]octadeca- 1(16),2,5(18),6,8,10,13(17),14-octaene-7,15-diol monohydrate |
| Formula | C28 H18 O7 |
| Calculated formula | C28 H18 O7 |
| SMILES | Oc1cc2oc(c3c2c(c1)c1c(oc2c1c3cc(c2)O)c1ccc(cc1)O)c1ccc(cc1)O.O |
| Title of publication | Hopeahainol C monohydrate |
| Authors of publication | Fun, Hoong-Kun; Sudto, Kanokorn; Ge, Hui-Ming; Tan, Ren-Xiang; Hannongbua, Supa; Chantrapromma, Suchada |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1392 - o1393 |
| a | 21.225 ± 0.004 Å |
| b | 3.85 ± 0.0007 Å |
| c | 25.353 ± 0.005 Å |
| α | 90° |
| β | 108.933 ± 0.004° |
| γ | 90° |
| Cell volume | 1959.7 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.106 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1467 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181226 (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 2/23/04. |
2230485.cif 2230485.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. |
2230485.cif 2230485.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230485.cif 2230485.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. | 2230485.cif 2230485.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230485.cif 2230485.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230485.cif 2230485.hkl |
| 22473 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230485 via cif-deposit CGI script. |
2230485.cif |
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Users of the data should acknowledge the original authors of the
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