Crystallography Open Database

Information card for entry 1555951

Preview

Coordinates	1555951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 O5
Calculated formula	C26 H38 O5
SMILES	O[C@@]12[C@@H]3CC[C@H]4C[C@@H](OC)CC[C@@]4([C@H]3CC[C@@]1([C@H]([C@@H](OC(=O)C)C2)c1cocc1)C)C
Title of publication	Synthetic Approach to the Core Structure of Oleandrin and Related Cardiac Glycosides with Highly Functionalized Ring D.
Authors of publication	Michalak, Karol; Morawiak, Maja; Wicha, Jerzy
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	23
Pages of publication	6148 - 6151
a	6.1334 ± 0.0013 Å
b	25.169 ± 0.006 Å
c	7.7489 ± 0.0016 Å
α	90°
β	95.807 ± 0.012°
γ	90°
Cell volume	1190.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
239272 (current)	2019-11-24	cif/ Adding structures of 1555951 via cif-deposit CGI script.	1555951.cif