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Information card for entry 2009432
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Coordinates | 2009432.cif |
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Original IUCr paper | HTML |
Common name | sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene |
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Chemical name | sc*(9S*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)-9,10-dihydro-9,10[1',2']- benzenoanthracene |
Formula | C30 H25 Br |
Calculated formula | C30 H25 Br |
SMILES | Cc1ccccc1C[C@@]12c3ccccc3[C@@H](c3c1c(Br)ccc3)c1c2c(C)ccc1C.Cc1ccccc1C[C@]12c3ccccc3[C@H](c3c1c(Br)ccc3)c1c2c(C)ccc1C |
Title of publication | Structures of <i>ap</i>-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-bromo-1,4-dimethyl-9-(2-methylbenzyl)triptycene |
Authors of publication | Nemoto, Takashi; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Yamamoto, Gaku |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1994 |
Journal volume | 50 |
Journal issue | 2 |
Pages of publication | 297 - 300 |
a | 27.746 ± 0.002 Å |
b | 27.746 ± 0.002 Å |
c | 11.817 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9097 ± 2 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 3 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for significantly intense reflections | 0.083 |
Weighted residual factors for significantly intense reflections | 0.063 |
Goodness-of-fit parameter for significantly intense reflections | 1.68 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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