Crystallography Open Database

Information card for entry 1559710

Preview

Coordinates	1559710.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2'Z,3'E)-3'-(Hydroxyimino)-5-methoxy-[2',3-biindolinylidene]-2-one
Formula	C18 H16 N3 O3.5
Calculated formula	C18 H16 N3 O3.5
Title of publication	Crystal Structure of 5-Methoxyindirubin 3′-Oxime
Authors of publication	NAKAMURA, Niina; ICHIMARU, Yoshimi; KATO, Koichi; SANO, Makoto; KUROSAKI, Hiromasa; HAYASHI, Kazuhiko; MIYAIRI, Shinichi
Journal of publication	X-ray Structure Analysis Online
Year of publication	2020
Journal volume	36
Journal issue	0
Pages of publication	47 - 48
a	16.0352 ± 0.0004 Å
b	5.5514 ± 0.0001 Å
c	17.2061 ± 0.0004 Å
α	90°
β	100.324 ± 0.003°
γ	90°
Cell volume	1506.85 ± 0.06 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 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	0.0616
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259630 (current)	2020-12-06	cif/ Adding structures of 1559710 via cif-deposit CGI script.	1559710.cif