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Information card for entry 7222100
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Coordinates | 7222100.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Penchinone D |
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Chemical name | Penchinone D |
Formula | C19 H20 O7 |
Calculated formula | C19 H20 O7 |
SMILES | O(C)c1c(O)c(C(=O)c2c(cc(/C=C\C)c(O)c2)C(=O)C)ccc1O.O |
Title of publication | Penchinones A‒D, two pairs of cis-trans isomers with rearranged neolignane carbon skeletons from Penthorum chinense |
Authors of publication | He, Ya-Cong; Peng, Cheng; Xie, Xiao-Fang; Chen, Ming-Hua; Li, Xiao-Nian; Li, Meng-Ting; Zhou, Qin-Mei; Guo, Li; Xiong, Liang |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 94 |
Pages of publication | 76788 |
a | 9.9508 ± 0.0003 Å |
b | 19.0262 ± 0.0006 Å |
c | 19.3662 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3666.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0389 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7222100.html
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