Crystallography Open Database

Information card for entry 2100838

Preview

Coordinates	2100838.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H14 O2 S
Calculated formula	C15 H14 O2 S
SMILES	S(C12C(=CC(=O)CC1)CCC2=O)c1ccccc1
Title of publication	Two closely related structures: ({-})-(7a<i>S</i>)-2,3,7,7a-tetrahydro-7a-phenylthio-1<i>H</i>-indene-1,5(6<i>H</i>)-dione and its racemic compound
Authors of publication	Brock, C. P.; Kwiatkowski, S.; Watt, D. S.; Sayed, A.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	5
Pages of publication	719 - 725
a	7.349 ± 0.001 Å
b	7.203 ± 0.002 Å
c	24.729 ± 0.004 Å
α	90°
β	91.27 ± 0.01°
γ	90°
Cell volume	1308.7 ± 0.5 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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