Crystallography Open Database

Information card for entry 7234165

Preview

Coordinates	7234165.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9-N,10-N-bis(4-chlorophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine
Formula	C20 H22 Cl2 N2 O4
Calculated formula	C20 H22 Cl2 N2 O4
Title of publication	New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes
Authors of publication	Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	51
Pages of publication	29949
a	10.5362 ± 0.0009 Å
b	9.4705 ± 0.0006 Å
c	20.3165 ± 0.0017 Å
α	90°
β	99.462 ± 0.008°
γ	90°
Cell volume	1999.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1027
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
218855 (current)	2019-09-25	cif/ Adding structures of 7234163, 7234164, 7234165, 7234166, 7234167, 7234168 via cif-deposit CGI script.	7234165.cif