Crystallography Open Database

Information card for entry 2002047

2002046 << 2002047 >> 2002048

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C14 H18 O
Calculated formula	C14 H18 O
SMILES	[C@@H]12C(=O)[C@H]3C(=C(C)C)[C@@H]1C(=C(C)C)[C@H]3C2.[C@H]12C(=O)[C@@H]3C(=C(C)C)[C@H]1C(=C(C)C)[C@@H]3C2
Title of publication	Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Authors of publication	Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.
Journal of publication	Acta Crystallographica Section C
Year of publication	1993
Journal volume	49
Journal issue	1
Pages of publication	57 - 62
a	9.532 ± 0.001 Å
b	9.218 ± 0.001 Å
c	13.496 ± 0.002 Å
α	90°
β	97.57 ± 0.01°
γ	90°
Cell volume	1175.5 ± 0.3 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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