Crystallography Open Database

Information card for entry 4119037

4119036 << 4119037 >> 4119038

Preview

Coordinates	4119037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 N4 O7
Calculated formula	C36 H46 N4 O7
Title of publication	Microtubes with Rectangular Cross-Section by Self-Assembly of a Short β-Peptide Foldamer
Authors of publication	Jangbae Kim; Sunbum Kwon; Su Hyun Kim; Chung-Kyung Lee; Joon-Hwa Lee; Sung June Cho; Hee-Seung Lee; Hyotcherl Ihee
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	20573 - 20576
a	9.3019 ± 0.0007 Å
b	9.6426 ± 0.0007 Å
c	11.6855 ± 0.0007 Å
α	87.354 ± 0.002°
β	89.943 ± 0.002°
γ	61.196 ± 0.002°
Cell volume	917.19 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1415
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178961 (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 4/11/90.	4119037.cif
76611	2013-03-20	cif/ Adding structures of 4119037 via cif-deposit CGI script.	4119037.cif