Crystallography Open Database

Information card for entry 1546210

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Structure parameters

Formula	C15 H20 O3
Calculated formula	C15 H20 O3
SMILES	O1[C@@H]2[C@@H]3CC(=O)[C@H]1[C@@H]1C(=O)CC[C@]21[C@H](C)CCC3.O1[C@H]2[C@H]3CC(=O)[C@@H]1[C@H]1C(=O)CC[C@@]21[C@@H](C)CCC3
Title of publication	Toward the Total Synthesis of Eurifoloid A.
Authors of publication	Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	10
Pages of publication	2742 - 2745
a	9.198 ± 0.006 Å
b	9.442 ± 0.004 Å
c	15.292 ± 0.007 Å
α	90°
β	104.995 ± 0.01°
γ	90°
Cell volume	1282.8 ± 1.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.2425
Goodness-of-fit parameter for all reflections included in the refinement	1.241
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1546210.cif
197355	2017-06-05	cif/ Adding structures of 1546210 via cif-deposit CGI script.	1546210.cif