Crystallography Open Database

Information card for entry 7122583

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Coordinates	7122583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 O2
Calculated formula	C10 H12 O2
Title of publication	Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.
Authors of publication	Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	96
Pages of publication	13571 - 13574
a	11.506 ± 0.01 Å
b	4.84 ± 0.008 Å
c	16.85 ± 0.02 Å
α	90°
β	103.13 ± 0.07°
γ	90°
Cell volume	914 ± 2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 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	0.0696
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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