Crystallography Open Database

Information card for entry 1556635

Preview

Coordinates	1556635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 N5 O5
Calculated formula	C39 H39 N5 O5
Title of publication	Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites
Authors of publication	Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	5
Pages of publication	1418 - 1424
a	11.80408 ± 0.00014 Å
b	18.74504 ± 0.00018 Å
c	31.2581 ± 0.0004 Å
α	90°
β	79.1361 ± 0.0011°
γ	90°
Cell volume	6792.46 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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