Crystallography Open Database

Information card for entry 7054473

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Coordinates	7054473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H62 Cl12 N6
Calculated formula	C72 H62 Cl12 N6
SMILES	c1(cc(cc(n1)c1ncccc1)c1ccc(C2=CC3=CC(=CC4=C(C=C5C=C(C=C2[C@@]5([C@@]34C)C)C(C)(C)C)c2ccc(c3cc(c4ccccn4)nc(c3)c3ncccc3)cc2)C(C)(C)C)cc1)c1ccccn1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	π-Conjugation modification of photochromic and redox-active dimethyldihydropyrene by phenyl- and ethynyl-terpyridines and Ru(bis-terpyridine) complexes
Authors of publication	Muratsugu, Satoshi; Nishihara, Hiroshi
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	12
Pages of publication	6114
a	9.5091 ± 0.0015 Å
b	13.741 ± 0.002 Å
c	15.412 ± 0.0018 Å
α	62.573 ± 0.004°
β	73.988 ± 0.006°
γ	87.296 ± 0.007°
Cell volume	1710.6 ± 0.4 Å³
Cell temperature	113 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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