Crystallography Open Database

Information card for entry 2001742

2001741 << 2001742 >> 2001743

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Coordinates	2001742.cif
Original IUCr paper	HTML

Structure parameters

Formula	C48 H44 N4 O4
Calculated formula	C48 H44 N4 O4
SMILES	O=C1N(CCN(Cc2ccccc2)C(=O)c2ccc(cc2)C(=O)N(CCN(C(=O)c2ccc1cc2)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
Title of publication	<i>N</i>,<i>N</i>'-Dibenzylethylenediamineterphthalate dimer
Authors of publication	Newkome, G. R.; Rogers, L. E.; Fronczek, F. R.
Journal of publication	Acta Crystallographica Section C
Year of publication	1993
Journal volume	49
Journal issue	5
Pages of publication	1022 - 1024
a	37.363 ± 0.006 Å
b	10.7689 ± 0.0011 Å
c	9.8091 ± 0.0011 Å
α	90°
β	95.929 ± 0.011°
γ	90°
Cell volume	3925.7 ± 0.9 Å³
Cell temperature	295 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.06
Goodness-of-fit parameter for significantly intense reflections	2.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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