Crystallography Open Database

Information card for entry 7234167

Preview

Coordinates	7234167.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9-N,10-N-bis(4-bromophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine
Formula	C20 H22 Br2 N2 O4
Calculated formula	C20 H22 Br2 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	10.664 ± 0.0006 Å
b	9.4362 ± 0.0006 Å
c	20.7558 ± 0.0011 Å
α	90°
β	97.997 ± 0.005°
γ	90°
Cell volume	2068.3 ± 0.2 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	0.1914
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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.	7234167.cif