Crystallography Open Database

Information card for entry 4101098

Preview

Coordinates	4101098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H56 In N3
Calculated formula	C37 H56 In N3
SMILES	[In]1N(C(=[N]1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	9.787 ± 0.002 Å
b	10.556 ± 0.002 Å
c	17.863 ± 0.004 Å
α	107.14 ± 0.03°
β	95 ± 0.03°
γ	97.81 ± 0.03°
Cell volume	1731.3 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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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