Crystallography Open Database

Information card for entry 2200824

2200823 << 2200824 >> 2200825

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2200824.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C18 H16
Calculated formula	C18 H16
SMILES	C1CC(c2ccccc12)C1=Cc2ccccc2C1
Title of publication	2-(2',3'-Dihydro-1'<i>H</i>-inden1'-yl)-1<i>H</i>-indene
Authors of publication	Jovanovic, Jovan; 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	o33 - o34
a	20.2837 ± 0.0008 Å
b	42.098 ± 0.002 Å
c	6.1644 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5263.8 ± 0.4 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	2
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1275
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	0.815
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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