Crystallography Open Database

Information card for entry 1555044

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Structure parameters

Formula	C21 H36 O4 Si
Calculated formula	C21 H36 O4 Si
SMILES	[Si](OC[C@]12OC(O[C@@H]2CCC2=C1C(=O)CCCC2)(C)C)(C(C)(C)C)(C)C
Title of publication	Stereoselective Total Syntheses of Guanacastepenes N and O.
Authors of publication	Peng, Shao-Zheng; Sha, Chin-Kang
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3486 - 3489
a	22.265 ± 0.003 Å
b	7.7011 ± 0.001 Å
c	12.8529 ± 0.0015 Å
α	90°
β	102.095 ± 0.003°
γ	90°
Cell volume	2154.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1555044.cif
238292	2019-11-24	cif/ Adding structures of 1555044 via cif-deposit CGI script.	1555044.cif