Crystallography Open Database

Information card for entry 7156536

Preview

Coordinates	7156536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 N O4
Calculated formula	C21 H27 N O4
Title of publication	A rapid construction of the ABC tricyclic skeleton of malabanone A.
Authors of publication	Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	44
Pages of publication	8491 - 8494
a	7.3514 ± 0.0003 Å
b	7.7395 ± 0.0003 Å
c	16.0309 ± 0.0006 Å
α	90°
β	94.117 ± 0.004°
γ	90°
Cell volume	909.74 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0332
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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