Crystallography Open Database

Information card for entry 4026806

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Structure parameters

Formula	C20 H25 N O6
Calculated formula	C20 H25 N O6
SMILES	[C@@]1(C(=O)C(=C2CCCC(=O)N3[C@]12CC[C@@H]3C=C)C)(C(=O)OC)OC(=O)CC.[C@]1(C(=O)C(=C2CCCC(=O)N3[C@@]12CC[C@H]3C=C)C)(C(=O)OC)OC(=O)CC
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	7.721 ± 0.008 Å
b	13.669 ± 0.014 Å
c	18.145 ± 0.018 Å
α	90°
β	92.817 ± 0.01°
γ	90°
Cell volume	1913 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1769
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
301812 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure.	4026806.cif
178447	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.	4026806.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026806.cif
40881	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4026806 via cif-deposit CGI script.	4026806.cif