Crystallography Open Database

Information card for entry 7061248

Preview

Coordinates	7061248.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AM3-142
Formula	C43.5 H34 Br Cl N2 O
Calculated formula	C43.5 H34 Br Cl N2 O
Title of publication	BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones
Authors of publication	Athira, Mohanakumaran; Smile, Suresh Snoxma; Shanmugam, Ponnusamy
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	6
Pages of publication	2952 - 2961
a	13.7423 ± 0.0004 Å
b	18.5947 ± 0.0006 Å
c	15.441 ± 0.0005 Å
α	90°
β	108.153 ± 0.001°
γ	90°
Cell volume	3749.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.2117
Weighted residual factors for all reflections included in the refinement	0.2428
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273392 (current)	2022-03-05	cif/ Updating files of 7061247, 7061248 Original log message: Adding full bibliography for 7061247--7061248.cif.	7061248.cif
272237	2022-01-26	cif/ Adding structures of 7061247, 7061248 via cif-deposit CGI script.	7061248.cif