Crystallography Open Database

Information card for entry 7228201

Preview

Coordinates	7228201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 O6
Calculated formula	C11 H14 O6
Title of publication	Sulfuric acid and Amberlyst-H+ catalyzed condensation reactions of renewable keto acids with paraformaldehyde: synthesis of a new dispiro bis-lactone ring system 2,9,13-trioxadispiro[4.1.4.3]tetradecane-3,6,10-trione
Authors of publication	Amarasekara, Ananda S.; Ha, Uyen; Fonari, Marina S.; Bejagam, Shabari Nath; Margetić, Davor
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	39
Pages of publication	23917
a	10.326 ± 0.003 Å
b	5.8596 ± 0.0015 Å
c	17.227 ± 0.004 Å
α	90°
β	97.085 ± 0.004°
γ	90°
Cell volume	1034.4 ± 0.5 Å³
Cell temperature	215 ± 2 K
Ambient diffraction temperature	215 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196232 (current)	2017-05-05	cif/ Adding structures of 7228201 via cif-deposit CGI script.	7228201.cif