Crystallography Open Database

Information card for entry 7156169

Preview

Coordinates	7156169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N2 O4
Calculated formula	C30 H30 N2 O4
Title of publication	Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.
Authors of publication	Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	16
Pages of publication	2910 - 2922
a	9.795 ± 0.005 Å
b	10.469 ± 0.005 Å
c	12.397 ± 0.005 Å
α	87.898 ± 0.005°
β	81.097 ± 0.005°
γ	82.861 ± 0.005°
Cell volume	1246 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.2425
Residual factor for significantly intense reflections	0.087
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
230737 (current)	2019-11-17	cif/ Updating files of 7156169, 7156170, 7156171 Original log message: Adding full bibliography for 7156169--7156171.cif.	7156169.cif
207073	2018-03-23	cif/ Adding structures of 7156169, 7156170, 7156171 via cif-deposit CGI script.	7156169.cif