Crystallography Open Database

Information card for entry 3000637

Preview

No preview available: structure is on hold until 2027-04-30

Coordinates	Coordinates are not available: structure is on hold until 2027-04-30

Structure parameters

Formula	C16 H10 Br N O
Authors of publication	Kalita, Nabadeep; Kalita, Kalyan Jyoti; Nakane, Takanori; Kawamoto, Akihiro; Ichiyanagi,Kouhei; Sasaki, Toshiyuki; Kurisu, Genji; Thakuria, Ranjit
Journal of publication	To be published
a	3.6639 ± 0.0007 Å
b	23.422 ± 0.004 Å
c	26.628 ± 0.011 Å
α	90°
β	90.78 ± 0.02°
γ	90°
Cell volume	2284.9 ± 1.1 Å³
Cell temperature	79 K
Ambient diffraction temperature	79 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2757
Weighted residual factors for significantly intense reflections	0.5343
Goodness-of-fit parameter for all reflections included in the refinement	2.071
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.