Crystallography Open Database

Information card for entry 7118020

Preview

Coordinates	7118020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H128 Cl4 N12 O12
Calculated formula	C116 H122 Cl4 N12 O12
Title of publication	The asymmetric synthesis of polycyclic 3-spirooxindole alkaloids via the cascade reaction of 2-isocyanoethylindoles
Authors of publication	Zhao, Xiaohu; Liu, Xiaohua; Xiong, Qian; Mei, Hongjiang; Ma, Baiwei; Lin, Lili; Feng, Xiaoming
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2015
Journal volume	51
Journal issue	89
Pages of publication	16076 - 16079
a	9.2218 ± 0.0002 Å
b	27.5508 ± 0.0006 Å
c	24.8963 ± 0.0005 Å
α	90°
β	92.701 ± 0.002°
γ	90°
Cell volume	6318.3 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210893 (current)	2018-09-12	cif/7/11/80/ Updating bibliography in entries 7118020, 7118052. Marking entry 7118052 as a duplicate of entry 7118020.	7118020.cif
169892	2015-10-30	cif/ Adding structures of 7118020 via cif-deposit CGI script.	7118020.cif