Crystallography Open Database

Information card for entry 7064355

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Coordinates	7064355.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-phenylpyrazole-dibenzofuran 6a
Formula	C30 H20 N4 O
Calculated formula	C30 H20 N4 O
Title of publication	4-Arylpyrazole-decorated dibenzofuran: synthesis, characterization, optical studies and computational analysis
Authors of publication	Kumari, Sonu; Biswas, Nupur; Thirumoorthi, Ramalingam; Roy, Bibhisan; Rajagopala Reddy, S.; Bhanuchandra, M.
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	17
Pages of publication	7196 - 7208
a	9.403 ± 0.0001 Å
b	10.1164 ± 0.0001 Å
c	13.0455 ± 0.0001 Å
α	83.04°
β	69.069 ± 0.001°
γ	69.003 ± 0.001°
Cell volume	1082.06 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0333
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
306455 (current)	2026-06-05	cif/ Updating files of 7064355 Original log message: Adding full bibliography for 7064355.cif.	7064355.cif
305194	2026-03-27	cif/ Adding structures of 7064355 via cif-deposit CGI script.	7064355.cif