Crystallography Open Database

Information card for entry 1513073

Preview

Coordinates	1513073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 N4 O8
Calculated formula	C30 H27 N4 O8
Title of publication	Optical properties of substituted piperidine containing natural quinolizidine-alkaloids theoretical vs. experimental study
Authors of publication	Ivanova, Bojidarka; Spiteller, Michael
Journal of publication	Natural Products Research
Year of publication	2013
a	4.93 ± 0.002 Å
b	34.514 ± 0.015 Å
c	8.152 ± 0.004 Å
α	90°
β	105 ± 0.013°
γ	90°
Cell volume	1339.8 ± 1 Å³
Cell temperature	199 ± 2 K
Ambient diffraction temperature	199 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.222
Residual factor for significantly intense reflections	0.1809
Weighted residual factors for significantly intense reflections	0.3886
Weighted residual factors for all reflections included in the refinement	0.4
Goodness-of-fit parameter for all reflections included in the refinement	2.06
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513073.cif
91915	2013-12-19	cif/1/51/30/ Fixing bibliographies for CIFs 1513064-1513067 and 1513069-1513075: moving author contacts from '_chemical_name_systematic' field to appropriate tags. Adding DOIs where missing.	1513073.cif
91423	2013-12-13	cif/ Adding structures of 1513073 via cif-deposit CGI script.	1513073.cif