Crystallography Open Database

Information card for entry 4501273

Preview

Coordinates	4501273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N2 O5
Calculated formula	C21 H20 N2 O5
Title of publication	U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels
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	12
Pages of publication	5387
a	9.4088 ± 0.0012 Å
b	18.474 ± 0.002 Å
c	10.9396 ± 0.0013 Å
α	90°
β	95.535 ± 0.001°
γ	90°
Cell volume	1892.6 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179543 (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 4/50/12.	4501273.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501273.cif
34832	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501272, 4501273, 4501274, 4501275, 4501276, 4501277, 4501278 via cif-deposit CGI script.	4501273.cif