Crystallography Open Database

Information card for entry 4500762

Preview

Coordinates	4500762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H32 N4 O5
Calculated formula	C41 H32 N4 O5
Title of publication	U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture
Authors of publication	Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1453
a	26.1395 ± 0.0011 Å
b	6.5865 ± 0.0003 Å
c	19.047 ± 0.0007 Å
α	90°
β	101.757 ± 0.003°
γ	90°
Cell volume	3210.5 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.1636
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.1688
Weighted residual factors for all reflections included in the refinement	0.1995
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179538 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/07.	4500762.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500762.cif
34623	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500759, 4500760, 4500761, 4500762, 4500763 via cif-deposit CGI script.	4500762.cif