Crystallography Open Database

Information card for entry 1555950

Preview

Coordinates	1555950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 O4
Calculated formula	C24 H34 O4
SMILES	O1[C@]23[C@@H]4CC[C@H]5C[C@@H](OC)CC[C@@]5([C@H]4CC[C@@]2([C@H]([C@H](O)[C@H]13)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	12.0052 ± 0.0002 Å
b	7.5696 ± 0.0001 Å
c	12.6467 ± 0.0002 Å
α	90°
β	113.646 ± 0.001°
γ	90°
Cell volume	1052.77 ± 0.03 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	0.0457
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
239271 (current)	2019-11-24	cif/ Adding structures of 1555950 via cif-deposit CGI script.	1555950.cif