Crystallography Open Database

Information card for entry 7220707

7220706 << 7220707 >> 7220708

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Structure parameters

Formula	C20 H14 N2
Calculated formula	C20 H14 N2
SMILES	c12ccccc1cc1c(c3c(CC1)nc1c(c3)cccc1)n2
Title of publication	Iron/acetic acid mediated synthesis of 6,7-dihydrodibenzo [b,j] [1,7] phenanthroline derivatives via intramolecular reductive cylization
Authors of publication	Yao, Ching-Fa; R. R, Rajawinslin.; Ichake, Sachin S.; Kavala, Veerababurao; Gawande, Sachin D.; Huang, Yi-Hsiang; Kuo, Chun-Wei
Journal of publication	RSC Adv.
Year of publication	2015
a	4.567 ± 0.001 Å
b	11.716 ± 0.003 Å
c	26.496 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1417.7 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1344
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.2262
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220707.cif
138984	2015-06-09	cif/ Adding structures of 7220707, 7220708 via cif-deposit CGI script.	7220707.cif