Crystallography Open Database

Information card for entry 7153880

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Structure parameters

Formula	C14 H21 N O5
Calculated formula	C14 H21 N O5
Title of publication	Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.
Authors of publication	Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	22
Pages of publication	3686 - 3700
a	5.51 ± 0.005 Å
b	13.604 ± 0.011 Å
c	19.941 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	1495 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7153880.cif
180324	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153880.cif
116103	2014-06-07	cif/ Adding structures of 7153879, 7153880 via cif-deposit CGI script.	7153880.cif