Crystallography Open Database

Information card for entry 4100384

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Structure parameters

Formula	C50 H68 O3 Ti
Calculated formula	C50 H68 O3 Ti
SMILES	[Ti]12(Oc3c(C(c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)Cc1ccccc1
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	10.932 ± 0.006 Å
b	18.807 ± 0.01 Å
c	22.851 ± 0.012 Å
α	95.696 ± 0.007°
β	97.034 ± 0.009°
γ	96.286 ± 0.006°
Cell volume	4604.1 ± 4.1 Å³
Cell temperature	173.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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