Crystallography Open Database

Information card for entry 1555764

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Coordinates	1555764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 N O6
Calculated formula	C17 H18 N O6
Title of publication	Catalytic Enantioselective Total Synthesis of Hypocrolide A.
Authors of publication	Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	19
Pages of publication	4932 - 4935
a	20.9111 ± 0.0004 Å
b	10.4665 ± 0.0002 Å
c	15.9414 ± 0.0003 Å
α	90°
β	105.059 ± 0.0011°
γ	90°
Cell volume	3369.21 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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