Crystallography Open Database

Information card for entry 7230562

Preview

Coordinates	7230562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H25 Cl2 N O2
Calculated formula	C31 H25 Cl2 N O2
Title of publication	Diastereoselective construction of 4-indole substituted chromans bearing a ketal motif through a three-component Friedel‒Crafts alkylation/ketalization sequence
Authors of publication	Guo, Jiao-Mei; Wang, Wen-Bo; Guo, Jia; Zhu, Yan-Shuo; Bai, Xu-Guan; Jin, Shao-Jing; Wang, Qi-Lin; Bu, Zhan-Wei
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	28
Pages of publication	15641
a	9.3851 ± 0.0006 Å
b	11.5543 ± 0.0008 Å
c	12.0921 ± 0.0008 Å
α	95.088 ± 0.001°
β	91.155 ± 0.001°
γ	104.026 ± 0.001°
Cell volume	1265.96 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
207479 (current)	2018-04-25	cif/ Adding structures of 7230562 via cif-deposit CGI script.	7230562.cif