Crystallography Open Database

Information card for entry 4020790

4020789 << 4020790 >> 4020791

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Coordinates	4020790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O2
Calculated formula	C20 H22 O2
SMILES	O[C@]1([C@H]([C@@H]([C@H](C1)c1ccccc1)c1ccccc1)C(=O)C)C.O[C@@]1([C@@H]([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)C(=O)C)C
Title of publication	Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction
Authors of publication	Naoki Kise; Yasuo Kitagishi; Nasuo Ueda
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	959 - 963
a	5.726 ± 0.001 Å
b	9.535 ± 0.002 Å
c	16.038 ± 0.003 Å
α	82.246 ± 0.003°
β	89.04 ± 0.01°
γ	76.958 ± 0.007°
Cell volume	845.1 ± 0.3 Å³
Cell temperature	296.1 K
Number of distinct elements	3
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

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