Crystallography Open Database

Information card for entry 2006920

2006919 << 2006920 >> 2006921

Preview

Coordinates	2006920.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	9-(o-tert-butylphenyl)-9-fluorenol
Formula	C23 H22 O
Calculated formula	C23 H22 O
SMILES	OC1(c2c(c3ccccc13)cccc2)c1c(cccc1)C(C)(C)C
Title of publication	Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State
Authors of publication	Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	1
Pages of publication	73 - 77
a	15.865 ± 0.004 Å
b	11.886 ± 0.006 Å
c	20.252 ± 0.004 Å
α	90°
β	112.438 ± 0.014°
γ	90°
Cell volume	3530 ± 2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1362
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for all reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections	1.012
Goodness-of-fit parameter for significantly intense reflections	1.111
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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