Crystallography Open Database

Information card for entry 7117123

Preview

Coordinates	7117123.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2N-Nornorrole
Formula	C30 H8 F10 N4
Calculated formula	C30 H8 F10 N4
SMILES	c1(F)c(c(c(c2c3c4c5c(c(c6c(c(c(c(c6F)F)F)F)F)c6c(n4cc3)ncc6)ccn5c3nccc23)c(c1F)F)F)F
Title of publication	Metal assisted cyclodimerization of doubly N-confused dipyrrins into planar aza-heptalenes
Authors of publication	Santosh C. Gadekar; Baddigam Kiran Reddy; Venkataramanarao G. Anand
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	8342
a	5.996 ± 0.002 Å
b	7.348 ± 0.003 Å
c	13.198 ± 0.005 Å
α	87.325 ± 0.008°
β	86.01 ± 0.008°
γ	71.49 ± 0.008°
Cell volume	549.9 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0576
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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