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Information card for entry 4512171
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| Coordinates | 4512171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | SCID_90K |
|---|---|
| Chemical name | 1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione |
| Formula | C15 H18 N2 O2 |
| Calculated formula | C15 H18 N2 O2 |
| Title of publication | Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound |
| Authors of publication | Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 6302 |
| a | 15.1342 ± 0.0004 Å |
| b | 28.3983 ± 0.0007 Å |
| c | 9.3718 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4027.86 ± 0.19 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179668 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21. |
4512171.cif |
| 131327 | 2015-02-07 | cif/ Updating files of 4512171, 4512172, 4512173, 4512174, 4512175, 4512176 Original log message: Adding full bibliography for 4512171--4512176.cif. |
4512171.cif |
| 125673 | 2014-10-22 | cif/ Adding structures of 4512171, 4512172, 4512173, 4512174 via cif-deposit CGI script. |
4512171.cif |
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