Crystallography Open Database

Information card for entry 7100252

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Coordinates	7100252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Br O4
Calculated formula	C18 H21 Br O4
Title of publication	Reversal of Facial Selectivity in Complex Diels-Alder Reaction.
Authors of publication	J.A. Funel; L. Ricard; J. Prunet
Journal of publication	Chemical Communications
Year of publication	2005
a	9.175 ± 0.001 Å
b	15.316 ± 0.001 Å
c	11.456 ± 0.001 Å
α	90°
β	102.26 ± 0.001°
γ	90°
Cell volume	1573.1 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
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
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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