Crystallography Open Database

Information card for entry 7155376

Preview

Coordinates	7155376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H21 N O5
Calculated formula	C14 H21 N O5
Title of publication	Total synthesis and confirmation of the revised structures of jiangrines A, C and D.
Authors of publication	Zhang, Zhijiang; Liu, Bo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	15
Journal issue	1
Pages of publication	207 - 212
a	7.4821 ± 0.0004 Å
b	13.9447 ± 0.0009 Å
c	14.9797 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1562.92 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.0786
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
191754 (current)	2017-02-04	cif/ Updating files of 7155376 Original log message: Adding full bibliography for 7155376.cif.	7155376.cif
188643	2016-11-23	cif/ Adding structures of 7155376 via cif-deposit CGI script.	7155376.cif