Crystallography Open Database

Information card for entry 2000182

2000181 << 2000182 >> 2000183

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Coordinates	2000182.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H15 Br O
Calculated formula	C18 H15 Br O
SMILES	Brc1ccc([C@@H]2[C@@H]3C(=O)CC[C@]23c2ccccc2)cc1.Brc1ccc([C@H]2[C@H]3C(=O)CC[C@@]23c2ccccc2)cc1
Title of publication	Structure and photochemistry of a cyclohexenone and its solid-state photoproduct
Authors of publication	Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1991
Journal volume	47
Journal issue	11
Pages of publication	2417 - 2419
a	17.607 ± 0.004 Å
b	8.213 ± 0.002 Å
c	19.976 ± 0.005 Å
α	90°
β	93.09 ± 0.03°
γ	90°
Cell volume	2884.5 ± 1.2 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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