Crystallography Open Database

Information card for entry 7121723

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Structure parameters

Common name	TARO2 in manuscript
Formula	C38 H24 N4 O2
Calculated formula	C38 H24 N4 O2
Title of publication	Synthesis and characterization of two different azarubrenes
Authors of publication	Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F.
Journal of publication	Chemical Communications
Year of publication	2018
a	29.9853 ± 0.0018 Å
b	29.9853 ± 0.0018 Å
c	14.2542 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	12816.2 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.2181
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7121723.cif
207949	2018-05-24	cif/ Adding structures of 7121721, 7121722, 7121723, 7121724 via cif-deposit CGI script.	7121723.cif