Crystallography Open Database

Information card for entry 1567727

Preview

Coordinates	1567727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 F N2 O
Calculated formula	C23 H19 F N2 O
Title of publication	Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis
Authors of publication	Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	42
Pages of publication	12503 - 12510
a	12.6548 ± 0.0004 Å
b	7.2987 ± 0.0002 Å
c	20.6049 ± 0.0006 Å
α	90°
β	98.643 ± 0.001°
γ	90°
Cell volume	1881.53 ± 0.1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
278975 (current)	2022-11-07	cif/ Updating files of 1567725, 1567726, 1567727, 1567728, 1567729 Original log message: Adding full bibliography for 1567725--1567729.cif.	1567727.cif
278368	2022-10-06	cif/ Adding structures of 1567725, 1567726, 1567727, 1567728, 1567729 via cif-deposit CGI script.	1567727.cif