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Information card for entry 2001258
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Coordinates | 2001258.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate |
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Formula | C21 H16 O5 |
Calculated formula | C21 H16 O5 |
SMILES | c1cccc2c1C1(c3ccccc3C2C(=C1C(=O)OC)C(=O)OC)C=O |
Title of publication | Structure of dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate |
Authors of publication | Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1993 |
Journal volume | 49 |
Journal issue | 11 |
Pages of publication | 2018 - 2019 |
a | 10.176 ± 0.001 Å |
b | 12.075 ± 0.002 Å |
c | 8.077 ± 0.001 Å |
α | 108.88 ± 0.01° |
β | 112.79 ± 0.01° |
γ | 83.86 ± 0.01° |
Cell volume | 865.6 ± 0.2 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.104 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections | 0.058 |
Weighted residual factors for significantly intense reflections | 0.052 |
Goodness-of-fit parameter for significantly intense reflections | 1.42 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CopperKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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