Crystallography Open Database

Information card for entry 7042971

Preview

Coordinates	7042971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H93 Cl3 In2 N4 O3
Calculated formula	C60 H93 Cl3 In2 N4 O3
SMILES	[In]123(Cl)([Cl][In]45(Cl)(Oc6c(C[NH]5[C@@H]5[C@@H]([N]4(C)C)CCCC5)cc(cc6C(C)(C)C)C(C)(C)C)[O]1c1ccc(cc1)C)Oc1c(C[NH]3[C@@H]3[C@@H]([N]2(C)C)CCCC3)cc(cc1C(C)(C)C)C(C)(C)C.c1(ccccc1)C.[In]123(Cl)([Cl][In]45(Cl)(Oc6c(C[NH]5[C@H]5[C@H]([N]4(C)C)CCCC5)cc(cc6C(C)(C)C)C(C)(C)C)[O]1c1ccc(cc1)C)Oc1c(C[NH]3[C@H]3[C@H]([N]2(C)C)CCCC3)cc(cc1C(C)(C)C)C(C)(C)C.c1(ccccc1)C
Title of publication	Impact of aryloxy initiators on the living and immortal polymerization of lactide.
Authors of publication	Chile, L.-E.; Ebrahimi, T.; Wong, A.; Aluthge, D. C.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
a	18.461 ± 0.005 Å
b	20.588 ± 0.005 Å
c	19.118 ± 0.005 Å
α	90°
β	110.389 ± 0.004°
γ	90°
Cell volume	6811 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
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	0.1846
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2034
Weighted residual factors for all reflections included in the refinement	0.2556
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196726 (current)	2017-05-18	cif/ Adding structures of 7042971, 7042972, 7042973, 7042974, 7042975 via cif-deposit CGI script.	7042971.cif