Crystallography Open Database

Information card for entry 7156466

Preview

Coordinates	7156466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 N O3
Calculated formula	C20 H13 N O3
Title of publication	Synthesis of medium-sized (6-7-6) ring compounds by iron-catalyzed C-H activation/annulation [corrected].
Authors of publication	Panda, Niranjan; Mattan, Irshad; Ojha, Subhadra; Purohit, Chandra Shekhar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	42
Pages of publication	7861 - 7870
a	7.2086 ± 0.0002 Å
b	12.6711 ± 0.0004 Å
c	8.3699 ± 0.0003 Å
α	90°
β	98.408 ± 0.003°
γ	90°
Cell volume	756.3 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230689 (current)	2019-11-17	cif/ Updating files of 7156466 Original log message: Adding full bibliography for 7156466.cif.	7156466.cif
211216	2018-09-28	cif/ Adding structures of 7156466 via cif-deposit CGI script.	7156466.cif