Crystallography Open Database

Information card for entry 3000604

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	C7 H6 O4
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	3.674 ± 0.0006 Å
b	22.23 ± 0.002 Å
c	8.0598 ± 0.0008 Å
α	90°
β	99.801 ± 0.015°
γ	90°
Cell volume	648.66 ± 0.14 Å³
Cell temperature	79 K
Ambient diffraction temperature	79 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2006
Weighted residual factors for significantly intense reflections	0.4061
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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.