Crystallography Open Database

Information card for entry 7223254

Preview

Coordinates	7223254.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	8-cyclopropyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol
Formula	C12 H20 O4
Calculated formula	C12 H20 O4
SMILES	C1(CC1)[C@@]1(O)OOC2(CCCC2)[C@@](C1)(O)C
Title of publication	Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen
Authors of publication	Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola
Journal of publication	RSC Adv.
Year of publication	2015
a	5.8134 ± 0.0004 Å
b	10.7208 ± 0.0007 Å
c	19.8086 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1234.56 ± 0.16 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0688
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
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
170310 (current)	2015-11-14	cif/ Adding structures of 7223252, 7223253, 7223254, 7223255 via cif-deposit CGI script.	7223254.cif