Crystallography Open Database

Information card for entry 7061384

Preview

Coordinates	7061384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 N O4
Calculated formula	C13 H13 N O4
SMILES	O[C@@H](c1c(N(=O)=O)cccc1)[C@H]1C(=O)C=CCC1.O[C@H](c1c(N(=O)=O)cccc1)[C@@H]1C(=O)C=CCC1
Title of publication	A practical route to arylated dihydroacridine derivatives via nickel boride mediated intramolecular reductive cyclization-concomitant dehydration
Authors of publication	Sarkar, Rumpa; Samanta, Surya Kanta; Hasija, Avantika; Chopra, Deepak; Ganguly, Debabani; Bera, Mrinal K.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	15
Pages of publication	7168 - 7176
a	8.283 ± 0.004 Å
b	8.309 ± 0.004 Å
c	9.834 ± 0.005 Å
α	81.847 ± 0.012°
β	84.967 ± 0.012°
γ	61.229 ± 0.012°
Cell volume	587.1 ± 0.5 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.1721
Residual factor for significantly intense reflections	0.1125
Weighted residual factors for significantly intense reflections	0.2782
Weighted residual factors for all reflections included in the refinement	0.3291
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
275034 (current)	2022-05-05	cif/ Updating files of 7061383, 7061384 Original log message: Adding full bibliography for 7061383--7061384.cif.	7061384.cif
273671	2022-03-12	cif/ Adding structures of 7061383, 7061384 via cif-deposit CGI script.	7061384.cif