Crystallography Open Database

Information card for entry 1555060

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Coordinates	1555060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N O4
Calculated formula	C16 H17 N O4
Title of publication	Stereoselective Total Syntheses of Guanacastepenes N and O.
Authors of publication	Peng, Shao-Zheng; Sha, Chin-Kang
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3486 - 3489
a	6.9082 ± 0.0001 Å
b	11.2913 ± 0.0002 Å
c	19.3834 ± 0.0003 Å
α	90°
β	91.357 ± 0.001°
γ	90°
Cell volume	1511.53 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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