Crystallography Open Database

Information card for entry 7158484

Preview

Coordinates	7158484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N3 O
Calculated formula	C28 H25 N3 O
Title of publication	An iron-catalyzed domino reaction of donor-acceptor cyclopropanes: a diastereoselective approach towards diversely functionalized pyrrolo-quinazolines.
Authors of publication	Dhara, Samiran; Ghosh, Subhadeep; Das, Asish R.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	7
Pages of publication	1415 - 1424
a	6.55 ± 0.017 Å
b	12.76 ± 0.03 Å
c	13.5 ± 0.03 Å
α	97.07 ± 0.03°
β	97.8 ± 0.03°
γ	98.64 ± 0.03°
Cell volume	1093 ± 5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1615
Residual factor for significantly intense reflections	0.0878
Weighted residual factors for significantly intense reflections	0.2003
Weighted residual factors for all reflections included in the refinement	0.2363
Goodness-of-fit parameter for all reflections included in the refinement	0.875
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
273425 (current)	2022-03-05	cif/ Updating files of 7158484 Original log message: Adding full bibliography for 7158484.cif.	7158484.cif
272000	2022-01-12	cif/ Adding structures of 7158484 via cif-deposit CGI script.	7158484.cif