Crystallography Open Database

Information card for entry 1570280

Preview

Coordinates	1570280.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nandrolone_cypionate
Chemical name	19_nortestosterone_17Î²_cyclopentanepropionate
Formula	C26 H38 O3
Calculated formula	C26 H38 O3
SMILES	O([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC2)CC1)C)C(=O)CCC1CCCC1
Title of publication	Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.
Authors of publication	Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	20
Pages of publication	7179
a	7.6432 ± 0.0001 Å
b	15.3112 ± 0.0004 Å
c	19.78 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2314.79 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2089
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
287464 (current)	2023-11-07	cif/ Adding structures of 1570280 via cif-deposit CGI script.	1570280.cif