Crystallography Open Database

Information card for entry 2008390

2008389 << 2008390 >> 2008391

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Coordinates	2008390.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Bromo-2,3-diphenylmethano-2,3-dihydronaphthoquinone
Formula	C23 H15 Br O2
Calculated formula	C23 H15 Br O2
SMILES	Br[C@]12C(=O)c3ccccc3C(=O)[C@H]1C2(c1ccccc1)c1ccccc1.Br[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1
Title of publication	2-Bromo-2,3-diphenylmethano-2,3-dihydronaphthoquinone
Authors of publication	Takumi Oshima; Kazuaki Fukushima; Tatsuya Kawamoto
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	4
Pages of publication	608 - 610
a	18.62 ± 0.01 Å
b	12.691 ± 0.008 Å
c	17.42 ± 0.01 Å
α	90°
β	121.17 ± 0.05°
γ	90°
Cell volume	3522 ± 4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.067
Goodness-of-fit parameter for significantly intense reflections	2.296
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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