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Information card for entry 2007467
Preview
Coordinates | 2007467.cif |
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Original IUCr paper | HTML |
Chemical name | 2,2-diphenyl-1,3,6,9,12,15-hexaoxacycloheptadecane |
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Formula | C23 H30 O6 |
Calculated formula | C23 H28.494 O6 |
SMILES | C1OCCOC(OCCOCCOCCOC1)(c1ccccc1)c1ccccc1 |
Title of publication | Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings |
Authors of publication | Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 7 |
Pages of publication | 1049 - 1052 |
a | 13.948 ± 0.002 Å |
b | 11.703 ± 0.002 Å |
c | 14.725 ± 0.002 Å |
α | 90° |
β | 116.753 ± 0.008° |
γ | 90° |
Cell volume | 2146.3 ± 0.6 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.17 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for all reflections | 0.199 |
Weighted residual factors for significantly intense reflections | 0.141 |
Goodness-of-fit parameter for all reflections | 1.01 |
Goodness-of-fit parameter for significantly intense reflections | 1.16 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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