Crystallography Open Database

Information card for entry 2300507

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Structure parameters

Formula	C26 H28 N2 O5
Calculated formula	C26 H28 N2 O5
SMILES	Oc1c(OC)cc(/C=N/c2ccc(/N=C/c3cc(OC)c(O)cc3)cc2)cc1.O1CCCC1
Title of publication	Supramolecular organic frameworks of a Schiff base showing selective guest adsorption
Authors of publication	Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng
Journal of publication	Journal of Applied Crystallography
Year of publication	2015
Journal volume	48
Journal issue	3
a	13.2363 ± 0.0009 Å
b	11.765 ± 0.0008 Å
c	17.6353 ± 0.0009 Å
α	90°
β	103.281 ± 0.001°
γ	90°
Cell volume	2672.8 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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	0.1243
Residual factor for significantly intense reflections	0.1015
Weighted residual factors for significantly intense reflections	0.2874
Weighted residual factors for all reflections included in the refinement	0.3038
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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