Crystallography Open Database

Information card for entry 1570431

Preview

Coordinates	1570431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30.13 N2 O2
Calculated formula	C33 H30.1303 N2 O2
Title of publication	Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.
Authors of publication	Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca
Journal of publication	Chemical science
Year of publication	2023
Journal volume	15
Journal issue	1
Pages of publication	271 - 277
a	6.8195 ± 0.0006 Å
b	19.5313 ± 0.0009 Å
c	20.5319 ± 0.0017 Å
α	96.793 ± 0.005°
β	95.64 ± 0.007°
γ	99.888 ± 0.005°
Cell volume	2655.5 ± 0.4 Å³
Cell temperature	200.15 K
Ambient diffraction temperature	200.15 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.2066
Residual factor for significantly intense reflections	0.1264
Weighted residual factors for significantly intense reflections	0.3063
Weighted residual factors for all reflections included in the refinement	0.3943
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289395 (current)	2024-02-04	cif/ Updating files of 1570429, 1570430, 1570431 Original log message: Adding full bibliography for 1570429--1570431.cif.	1570431.cif
287864	2023-11-30	cif/ Adding structures of 1570429, 1570430, 1570431 via cif-deposit CGI script.	1570431.cif