Crystallography Open Database

Information card for entry 4026807

Preview

Coordinates	4026807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 N O5
Calculated formula	C20 H23 N O5
SMILES	C1(=O)CCCC2=C(C(=O)[C@@]3([C@]42CC[C@@H](C=C)N14)C(=C(C(=O)O3)C)OC)C.C1(=O)CCCC2=C(C(=O)[C@]3([C@@]42CC[C@H](C=C)N14)C(=C(C(=O)O3)C)OC)C
Title of publication	Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine
Authors of publication	Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	10173 - 10186
a	22.9 ± 0.03 Å
b	9.06 ± 0.011 Å
c	18.57 ± 0.02 Å
α	90°
β	90.78 ± 0.04°
γ	90°
Cell volume	3852 ± 8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178447 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/68.	4026807.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026807.cif
40882	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4026807 via cif-deposit CGI script.	4026807.cif