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Information card for entry 4037206
Preview
Coordinates | 4037206.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 17,18-diacetyl-3,4,7,8,11,12-hexahydro-2,20:13,16-dietheno- 6,9-benzodioxacyclooctadecine-5,10-dione |
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Formula | C30 H30 O7 |
Calculated formula | C28 H26 O6 |
Title of publication | Photochemical Synthesis of Both Strained and Macrocyclic (1,7)Naphthalenophanes. |
Authors of publication | Wessig, Pablo; Czarnecki, Maciej; Badetko, Dominik; Schilde, Uwe; Kelling, Alexandra |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 9147 - 9157 |
a | 14.0313 ± 0.0008 Å |
b | 8.1798 ± 0.0003 Å |
c | 24.203 ± 0.0013 Å |
α | 90° |
β | 104.913 ± 0.004° |
γ | 90° |
Cell volume | 2684.3 ± 0.2 Å3 |
Cell temperature | 210 ± 2 K |
Ambient diffraction temperature | 210 ± 2 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 | 0.0488 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.1028 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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