Crystallography Open Database

Information card for entry 2003110

2003109 << 2003110 >> 2003111

Preview

Coordinates	2003110.cif
Original IUCr paper	HTML

Structure parameters

Common name	1:1 adduct of hexamethylenetetramine and azelaic acid
Formula	C15 H28 N4 O4
Calculated formula	C15 H28 N4 O4
Title of publication	Phase-transition-induced twinning in the 1:1 adduct of hexamethylenetetramine and azelaic acid
Authors of publication	Marc Hostettler; Henrik Birkedal; Manual Gardon; Gervais Chapuis; Dieter Schwarzenbach; Michel Bonin
Journal of publication	Acta Crystallographica Section B
Year of publication	1999
Journal volume	55
Journal issue	3
Pages of publication	448 - 458
a	5.8907 ± 0.0007 Å
b	26.071 ± 0.002 Å
c	11.8868 ± 0.0011 Å
α	90°
β	106.118 ± 0.009°
γ	90°
Cell volume	1753.8 ± 0.3 Å³
Cell temperature	258 ± 1 K
Ambient diffraction temperature	258 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2003110.html