Crystallography Open Database

Information card for entry 3000605

Preview

No preview available: structure is on hold until 2026-06-19

Coordinates	Coordinates are not available: structure is on hold until 2026-06-19

Structure parameters

Formula	C9 H14 N4 O6
Authors of publication	Bania, Ankur; Gogoi, Diptajyoti; Kalita, Nabadeep; Nakane, Takanori; Kawamoto, Akihiro; Althubeiti, Khaled; Sasaki, Toshiyuki; Kurisu, Genji; Thakuria, Ranjit
Journal of publication	To be published
a	7.2558 ± 0.001 Å
b	8.8651 ± 0.0016 Å
c	10.86 ± 0.002 Å
α	74.412 ± 0.015°
β	75.956 ± 0.014°
γ	71.464 ± 0.014°
Cell volume	628.4 ± 0.2 Å³
Cell temperature	79 K
Ambient diffraction temperature	79 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1927
Weighted residual factors for significantly intense reflections	0.4008
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.02508 Å
Diffraction radiation type	electron
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.