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Information card for entry 2102559
Preview
Coordinates | 2102559.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutyl)pentasulfane |
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Formula | C16 H24 Cl2 O2 S5 |
Calculated formula | C16 H24 Cl2 O2 S5 |
Title of publication | Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane: an Occupancy Modulated Structure |
Authors of publication | Rae, David; Linden, Anthony; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz |
Journal of publication | Acta Crystallographica, Section B |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 4 |
Pages of publication | 416 - 423 |
a | 11.6666 ± 0.0001 Å |
b | 8.1343 ± 0.0001 Å |
c | 23.8366 ± 0.0002 Å |
α | 90° |
β | 99.6985 ± 0.0006° |
γ | 90° |
Cell volume | 2229.75 ± 0.04 Å3 |
Cell temperature | 160 ± 1 K |
Ambient diffraction temperature | 160 ± 1 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 | 0.039 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.42 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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