Crystallography Open Database

Information card for entry 4022815

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Structure parameters

Formula	C23 H22 N2 O5
Calculated formula	C23 H22 N2 O5
SMILES	O(c1c(cccc1C(=O)Nc1ccccc1OC)C(=O)Nc1ccccc1OC)C
Title of publication	Dynamic [2]Catenanes Based on a Hydrogen Bonding-Mediated Bis-Zinc Porphyrin Foldamer Tweezer: A Case Study
Authors of publication	Jing Wu; Fang Fang; Wen-Ya Lu; Jun-Li Hou; Chuang Li; Zong-Quan Wu; Xi-Kui Jiang; Zhan-Ting Li; Yi-Hua Yu
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	2897 - 2905
a	13.7345 ± 0.0012 Å
b	16.8989 ± 0.0016 Å
c	17.6432 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4095 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	0.835
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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