Crystallography Open Database

Information card for entry 2101219

Preview

Coordinates	2101219.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H14 O4
Calculated formula	C8 H14 O4
SMILES	OC(=O)CCCCCCC(=O)O
Title of publication	Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data
Authors of publication	Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K.
Journal of publication	Acta Crystallographica Section B
Year of publication	1994
Journal volume	50
Journal issue	6
Pages of publication	695 - 703
a	8.71 ± 0.001 Å
b	5.0885 ± 0.0007 Å
c	9.815 ± 0.001 Å
α	90°
β	95.07 ± 0.01°
γ	90°
Cell volume	433.31 ± 0.09 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.0499 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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