Crystallography Open Database

Information card for entry 1509137

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Structure parameters

Formula	C32 H42
Calculated formula	C32 H42
SMILES	C12([C@@H]3[C@H]4[C@@H]5C6C1(C[C@H]1C[C@@H]2[C@H]([C@@H]6C1)C4)C[C@H](C3)C5)C12CC3C[C@H]4[C@@H]2CC2C[C@@H]1[C@H](C4C2)C3
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	7.7202 ± 0.0011 Å
b	11.3237 ± 0.0016 Å
c	13.3783 ± 0.0018 Å
α	111.818 ± 0.015°
β	91.43 ± 0.017°
γ	95.982 ± 0.017°
Cell volume	1077.29 Å³
Number of distinct elements	2
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

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1509137.cif
176729	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.	1509137.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.	1509137.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	1509137.cif