Crystallography Open Database

Information card for entry 7121840

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Structure parameters

Formula	C17 H18 O4
Calculated formula	C17 H18 O4
Title of publication	Asymmetric synthesis of functionalized tetrahydrofluorenones via an NHC-catalyzed homoenolate Michael addition.
Authors of publication	Shu, Tao; Li, Sun; Chen, Xiang-Yu; Liu, Qiang; von Essen, Carolina; Rissanen, Kari; Enders, Dieter
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	55
Pages of publication	7661 - 7664
a	7.69761 ± 0.00017 Å
b	12.2794 ± 0.0002 Å
c	8.18769 ± 0.00018 Å
α	90°
β	110.677 ± 0.003°
γ	90°
Cell volume	724.07 ± 0.03 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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