Crystallography Open Database

Information card for entry 1100915

Preview

Coordinates	1100915.cif

Structure parameters

Formula	C15 H22 O3
Calculated formula	C15 H22 O3
SMILES	O=C1[C@@H]2[C@](OC(=O)C)([C@H]3[C@H]1CCCC3)CCCC2.O=C1[C@H]2[C@@](OC(=O)C)([C@@H]3[C@@H]1CCCC3)CCCC2
Authors of publication	Mario Nardelli
a	11.891 ± 0.006 Å
b	11.954 ± 0.005 Å
c	9.387 ± 0.006 Å
α	90 ± 0°
β	90 ± 0°
γ	90 ± 0°
Cell volume	1334 ± 1 Å³
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 21 c n
Diffraction radiation wavelength	0.71069 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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