Crystallography Open Database

Information card for entry 1509135

Preview

Coordinates	1509135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38
Calculated formula	C28 H38
SMILES	C12([C@@H]3[C@H]4C5[C@@H]([C@H]2CC(C3)C5)CC(C1)C4)C12[C@H]3CC4C[C@@H]1[C@H]1CC(C2)C[C@@H]3C1C4
Title of publication	Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.
Authors of publication	Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.
Journal of publication	Nature
Year of publication	2011
Journal volume	477
Journal issue	7364
Pages of publication	308 - 311
a	13.2994 ± 0.0018 Å
b	10.3952 ± 0.0016 Å
c	14.194 ± 0.002 Å
α	90°
β	105.149 ± 0.017°
γ	90°
Cell volume	1894.13 Å³
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1509135.cif
80973	2013-04-11	cif/1/50/91/ (saulius@koala.ibt.lt) Adding _chemical_formula_sum data items to the recent manually generated CIFs.	1509135.cif
80971	2013-04-11	cif/1/50/91/ (saulius@koala.ibt.lt) Manually depositing structures from: "Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces", Nature 477, 308-311, doi:10.1038/nature10367	1509135.cif