Crystallography Open Database

Information card for entry 2000679

2000678 << 2000679 >> 2000680

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Coordinates	2000679.cif
Original IUCr paper	HTML

Structure parameters

Formula	C28 H40 N4 O2
Calculated formula	C28 H40 N4 O2
SMILES	Oc1c2cc(C)cc1CN1CCCN(Cc3cc(C)cc(c3O)CN3C(N(CCC3)C2)C)C1C
Title of publication	Structure of a tetratertiaryamino-diphenolato macrocyclic ligand
Authors of publication	Venkatasubramanian, K.; Paul, P.; Nanda, K. K.; Adhikary, B.; Nag, K.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	8
Pages of publication	1440 - 1442
a	12.529 ± 0.001 Å
b	13.068 ± 0.001 Å
c	15.815 ± 0.001 Å
α	90°
β	93.58 ± 0.01°
γ	90°
Cell volume	2584.3 ± 0.3 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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