Crystallography Open Database

Information card for entry 2011048

2011047 << 2011048 >> 2011049

Preview

Coordinates	2011048.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H14 Cr O4
Calculated formula	C18 H14 Cr O4
SMILES	[Cr](C#[O])(C#[O])(C#[O])([cH]12)([cH]13)([cH]21)([cH]12)([c]214)[c]13ccc2c4C=CC(O2)(C)C
Title of publication	Tricarbonyl[(6a,7,8,9,10a-η)-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium
Authors of publication	Pèpe, Gérard; Hannesschlager, Patrick; Brun, Pierre
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	6
Pages of publication	e251 - e252
a	12.19 ± 0.002 Å
b	9.147 ± 0.002 Å
c	14.612 ± 0.003 Å
α	90°
β	104.2 ± 0.02°
γ	90°
Cell volume	1579.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections	0.979
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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