Crystallography Open Database

Information card for entry 4119561

4119560 << 4119561 >> 4119562

Preview

Coordinates	4119561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H37 N5 O3 Zn
Calculated formula	C39.5 H38 N5.25 O3 Zn
Title of publication	Double Helices of a Pyridine-Appended Zinc Chlorophyll Derivative
Authors of publication	Yoshinao Shinozaki; Gary Richards; Keizo Ogawa; Akihito Yamano; Kazuaki Ohara; Kentaro Yamaguchi; Shin-ichiro Kawano; Kentaro Tanaka; Yasuyuki Araki; Takehiko Wada; Joe Otsuki
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5262 - 5265
a	20.097 ± 0.003 Å
b	20.097 ± 0.003 Å
c	14.3196 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	5008.7 ± 1.2 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	5
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178966 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/95.	4119561.cif
103720	2014-03-06	cif/ Adding structures of 4119561 via cif-deposit CGI script.	4119561.cif