Crystallography Open Database

Information card for entry 7234987

Preview

Coordinates	7234987.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PJ_B849_55
Formula	C36 H24 N2 O3
Calculated formula	C2.66667 H1.77778 N0.148148 O0.222222
Title of publication	Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective
Authors of publication	Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	39
Pages of publication	22384
a	10.233 ± 0.005 Å
b	11.256 ± 0.006 Å
c	13.314 ± 0.007 Å
α	70.799 ± 0.008°
β	84.134 ± 0.009°
γ	71.007 ± 0.008°
Cell volume	1369.4 ± 1.2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.119
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.3124
Weighted residual factors for all reflections included in the refinement	0.326
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
223457 (current)	2019-11-07	cif/ Adding structures of 7234986, 7234987, 7234988, 7234989 via cif-deposit CGI script.	7234987.cif