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Information card for entry 2243408
Preview
Coordinates | 2243408.cif |
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Structure factors | 2243408.hkl |
Original paper (by DOI) | HTML |
Chemical name | Dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate |
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Formula | C51 H42 O5 |
Calculated formula | C51 H42 O5 |
Title of publication | Crystal structure of dimethyl 5-(4-ethylphenyl)-4-[(4-ethylphenyl)ethynyl]-6,11-diphenyl-1,3,6,11-tetrahydro-2<i>H</i>-6,11-epoxycyclopenta[<i>a</i>]anthracene-2,2-dicarboxylate |
Authors of publication | Meng, Xiang-Zhen; Cheng, Dong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 6 |
Pages of publication | 954 - 957 |
a | 11.3654 ± 0.001 Å |
b | 14.243 ± 0.0012 Å |
c | 25.168 ± 0.002 Å |
α | 90° |
β | 91.207 ± 0.001° |
γ | 90° |
Cell volume | 4073.2 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0741 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1535 |
Weighted residual factors for all reflections included in the refinement | 0.1694 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
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252478 (current) | 2020-05-30 | cif/ hkl/ Adding structures of 2243408 via cif-deposit CGI script. |
2243408.cif 2243408.hkl |
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Users of the data should acknowledge the original authors of the
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