Crystallography Open Database

Information card for entry 7226670

Preview

Coordinates	7226670.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ps Ai 1
Formula	C36.75 H35 Br N2 O
Calculated formula	C36.75 H35 Br N2 O
Title of publication	The synthesis of new 8-imino-1-one acridine derivatives catalyzed by a calix[4]arene mono-acid core
Authors of publication	Sarkar, Piyali; Mukhopadhyay, Chhanda
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	24
Pages of publication	6556
a	9.5392 ± 0.0007 Å
b	12.9758 ± 0.0009 Å
c	13.6796 ± 0.0009 Å
α	95.066 ± 0.006°
β	96.544 ± 0.006°
γ	107.057 ± 0.006°
Cell volume	1595 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation probe	x-ray
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
190220 (current)	2017-01-09	cif/ Updating files of 7226670 Original log message: Adding full bibliography for 7226670.cif.	7226670.cif
186837	2016-09-29	cif/ Adding structures of 7226670 via cif-deposit CGI script.	7226670.cif