Crystallography Open Database

Information card for entry 7110921

Preview

Coordinates	7110921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 F N O2
Calculated formula	C20 H26 F N O2
Title of publication	CFTA, a new efficient agent for determination of absolute configurations of chiral secondary alcohols
Authors of publication	Takahashi, Tamiko; Fukuishima, Aki; Tanaka, Yuki; Takeuchi, Yoshio; Kabuto, Kuninobu; Kabuto, Chizuko
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	9
Pages of publication	787
a	8.739 ± 0.009 Å
b	9.404 ± 0.009 Å
c	6.411 ± 0.008 Å
α	103.23 ± 0.08°
β	97.33 ± 0.09°
γ	111 ± 0.08°
Cell volume	465.9 ± 1 Å³
Cell temperature	150.2 K
Ambient diffraction temperature	150.2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	2.832
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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