Crystallography Open Database

Information card for entry 2200825

2200824 << 2200825 >> 2200826

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2200825.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C18 H16
Calculated formula	C18 H16
SMILES	C1(=C2\CCc3ccccc23)\CCc2ccccc12
Title of publication	(<i>Z</i>)-2,3,2',3'-Tetrahydro-[1,1']biindenylidene
Authors of publication	Jovanovic, Jovan; Elling, Wilhelm; Schürmann, Markus; Preut, Hans; Spiteller, Michael
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	1
Pages of publication	o35 - o36
a	14.7176 ± 0.0002 Å
b	14.768 ± 0.0002 Å
c	23.586 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5126.41 ± 0.12 Å³
Cell temperature	291 ± 1 K
Ambient diffraction temperature	291 ± 1 K
Number of distinct elements	2
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	0.913
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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