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Information card for entry 2006244
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Coordinates | 2006244.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1-Methylbenzothiazolinospiro-2,3'-(2-methyl-[3H]phenanthr[9,10-b][1,4]oxazine) |
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Formula | C24 H18 N2 O S |
Calculated formula | C24 H18 N2 O S |
SMILES | S1c2ccccc2N(C21C(=Nc1c3c(c4ccccc4c1O2)cccc3)C)C |
Title of publication | 1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3<i>H</i>]phenanthr[9,10-<i>b</i>][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine) |
Authors of publication | Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 6 |
Pages of publication | 820 - 823 |
a | 6.286 ± 0.003 Å |
b | 12.033 ± 0.005 Å |
c | 24.523 ± 0.014 Å |
α | 90° |
β | 95.31 ± 0.04° |
γ | 90° |
Cell volume | 1846.9 ± 1.6 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.057 |
Goodness-of-fit parameter for significantly intense reflections | 1.3 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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