Crystallography Open Database

Information card for entry 1543773

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Structure parameters

Formula	C15 H19 O5.5
Calculated formula	C15 H19 O5.5
SMILES	O.C1(=CC(=O)C[C@@H]2[C@]1(c1c(cccc1CC2)O)O)OC.O
Title of publication	Bioactive Phenanthrene and Bibenzyl Derivatives from the Stems of Dendrobium nobile.
Authors of publication	Zhou, Xue-Ming; Zheng, Cai-Juan; Gan, Li-She; Chen, Guang-Ying; Zhang, Xiao-Peng; Song, Xiao-Ping; Li, Gao-Nan; Sun, Chong-Ge
Journal of publication	Journal of natural products
Year of publication	2016
Journal volume	79
Journal issue	7
Pages of publication	1791 - 1797
a	11.0841 ± 0.0002 Å
b	20.46 ± 0.0004 Å
c	12.6447 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2867.57 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543773.cif
194547	2017-03-27	cif/1 Fixing some wrong Z values and formulae	1543773.cif
184842	2016-08-04	cif/ Adding structures of 1543773 via cif-deposit CGI script.	1543773.cif