Crystallography Open Database

Information card for entry 7051552

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Structure parameters

Formula	C28 H46 N4 O6
Calculated formula	C28 H46 N4 O6
SMILES	O=C(NNC(=O)c1c(OCCCCCCCC)cc(OCCCCCCCC)c(c1)C(=O)NNC(=O)C)C
Title of publication	A programmed hydrogen bonding array self-assembles into a polymeric zipper-like architecture
Authors of publication	Yang, Yong; Zhang, Ya-Zhou; Tang, Ya-Lin; Chen, Chuan-Feng
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	2
Pages of publication	140
a	28.56 ± 0.02 Å
b	14.706 ± 0.01 Å
c	15.859 ± 0.011 Å
α	90°
β	113.1 ± 0.02°
γ	90°
Cell volume	6127 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.3462
Residual factor for significantly intense reflections	0.125
Weighted residual factors for significantly intense reflections	0.2706
Weighted residual factors for all reflections included in the refinement	0.3791
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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