Crystallography Open Database

Information card for entry 2206701

2206700 << 2206701 >> 2206702

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Chemical name	Dimethylamino proylammonium dipicrate
Formula	C17 H20 N8 O14
Calculated formula	C17 H20 N8 O14
SMILES	[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.[NH3+]CCC[NH+](C)C
Title of publication	3-(Dimethylammonio)propanaminium dipicrate
Authors of publication	Chellamuthu Muthamizhchelvan; Kolandaivelu Saminathan; Krishnan SethuSankar; Jan Fraanje; Rene Peschar; Kandasamy Sivakumar
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	o2887 - o2890
a	11.3271 ± 0.0014 Å
b	26.9657 ± 0.0012 Å
c	8.0667 ± 0.0006 Å
α	90°
β	104.764 ± 0.004°
γ	90°
Cell volume	2382.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0856
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1714
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.