Crystallography Open Database

Information card for entry 2102066

2102065 << 2102066 >> 2102067

Preview

Coordinates	2102066.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H9 N O4
Calculated formula	C8 H9 N O4
Title of publication	Terephthalate salts: salts of monopositive cations
Authors of publication	Kaduk, James A.
Journal of publication	Acta Crystallographica Section B
Year of publication	2000
Journal volume	56
Journal issue	3
Pages of publication	474 - 485
a	18.924 ± 0.004 Å
b	3.7967 ± 0.0008 Å
c	11.481 ± 0.002 Å
α	90°
β	98.04 ± 0.03°
γ	90°
Cell volume	816.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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/2102066.html