Crystallography Open Database

Information card for entry 4027878

Preview

Coordinates	4027878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H37 N O4
Calculated formula	C22 H37 N O4
Title of publication	Collective Synthesis of Lycopodium Alkaloids and Tautomer Locking Strategy for the Total Synthesis of (-)-Lycojapodine A
Authors of publication	Houhua Li; Xiaoming Wang; Benke Hong; Xiaoguang Lei
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	800 - 821
a	12.737 ± 0.003 Å
b	6.8278 ± 0.0014 Å
c	13.272 ± 0.003 Å
α	90°
β	107.93 ± 0.03°
γ	90°
Cell volume	1098.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0748
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1934
Weighted residual factors for all reflections included in the refinement	0.2093
Goodness-of-fit parameter for all reflections included in the refinement	1.328
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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