Crystallography Open Database

Information card for entry 7228470

Preview

Coordinates	7228470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 F N O4
Calculated formula	C26 H22 F N O4
SMILES	O=C(OCC)c1c2cc(F)cc3c2c2n(c1C)c1c(c2c(c3C(=O)OCC)C)cccc1
Title of publication	Rhodium(iii)-catalyzed indole-directed carbenoid aryl C‒H insertion/cyclization: access to 1,2-benzocarbazoles
Authors of publication	Zhang, Zhenhui; Liu, Kunkun; Chen, Xun; Su, Shi-Jian; Deng, Yuanfu; Zeng, Wei
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	49
Pages of publication	30554
a	12.2335 ± 0.0005 Å
b	13.079 ± 0.0006 Å
c	14.4423 ± 0.0005 Å
α	95.978 ± 0.003°
β	106.554 ± 0.004°
γ	105.092 ± 0.004°
Cell volume	2098.54 ± 0.17 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 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	0.072
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.1957
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
202518 (current)	2017-11-02	cif/7 Fixing some Z values and formulae	7228470.cif
197803	2017-06-14	cif/ Adding structures of 7228469, 7228470 via cif-deposit CGI script.	7228470.cif