Crystallography Open Database

Information card for entry 1570429

Preview

Coordinates	1570429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 F N2 O2
Calculated formula	C32 H27 F N2 O2
SMILES	Fc1ccc(CN2[C@H](c3ccccc3)[C@H]3[C@H](C(=O)N(C3=O)Cc3ccccc3)[C@H]2c2ccccc2)cc1.Fc1ccc(CN2[C@@H](c3ccccc3)[C@@H]3[C@@H](C(=O)N(C3=O)Cc3ccccc3)[C@@H]2c2ccccc2)cc1
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	31.691 ± 0.0006 Å
b	6.6329 ± 0.0001 Å
c	25.7816 ± 0.0005 Å
α	90°
β	112.057 ± 0.001°
γ	90°
Cell volume	5022.74 ± 0.16 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1059
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	No
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.	1570429.cif
287864	2023-11-30	cif/ Adding structures of 1570429, 1570430, 1570431 via cif-deposit CGI script.	1570429.cif