Crystallography Open Database

Information card for entry 4032676

Preview

Coordinates	4032676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 N O7
Calculated formula	C23 H31 N O7
SMILES	[C@H]12O[C@]([C@@](O[C@@H]1[C@@H]1[C@](C=C2)(c2c(O1)c(ccc2)OC)CC(=O)N(C)C)(C)OC)(C)OC
Title of publication	The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.
Authors of publication	Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	15
Pages of publication	7869 - 7886
a	10.14845 ± 0.00009 Å
b	10.61199 ± 0.00007 Å
c	10.80864 ± 0.0001 Å
α	90°
β	106.88 ± 0.0009°
γ	90°
Cell volume	1113.89 ± 0.017 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for all reflections	0.0669
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.0262
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200705 (current)	2017-09-12	cif/ Updating files of 4032676 Original log message: Adding full bibliography for 4032676.cif.	4032676.cif
198983	2017-07-25	cif/ Adding structures of 4032676 via cif-deposit CGI script.	4032676.cif