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Information card for entry 8105459
Preview
Coordinates | 8105459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H16 O2 |
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Calculated formula | C15 H16 O2 |
Title of publication | Crystal structure of (4aS,5S,6aS,6a1S, 10aS)-4a,5,6a,6a 1,9,10-hexahydro-7H-4,5-methanocyclobuta[4,5]naphtho[8a,1-b]pyran-6(2H)-one, C15H16O2 |
Authors of publication | Zhai, Shengxian; Yu, Youzhu; Niu, Yongsheng; Han, Chuchu |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2020 |
Journal volume | 235 |
Journal issue | 6 |
Pages of publication | 1335 - 1337 |
a | 5.6034 ± 0.0007 Å |
b | 8.7105 ± 0.0011 Å |
c | 12.5661 ± 0.0016 Å |
α | 92.79 ± 0.007° |
β | 100.516 ± 0.007° |
γ | 106.105 ± 0.006° |
Cell volume | 576.15 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0516 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1305 |
Weighted residual factors for all reflections included in the refinement | 0.1348 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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