Crystallography Open Database

Information card for entry 4500761

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Coordinates	4500761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 N4 O5
Calculated formula	C29 H26 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	21.787 ± 0.002 Å
b	6.5789 ± 0.0007 Å
c	19.458 ± 0.002 Å
α	90°
β	115.136 ± 0.001°
γ	90°
Cell volume	2524.9 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0759
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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