Crystallography Open Database

Information card for entry 7134262

Preview

Coordinates	7134262.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6-(4-methoxypgenyl)pyridoxine[2,1-alpha]isoindole
Formula	C19 H15 N O
Calculated formula	C19 H15 N O
Title of publication	Design of a modular, palladium-catalyzed carbonylative synthesis of pyrido[2,1-α]isoindoles <i>via</i> benzyne 1,3-dipolar cycloaddition.
Authors of publication	Wong, Karina S.; Ghanbari, Mohammad; Arndtsen, Bruce A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	21
Pages of publication	4192 - 4195
a	16.4292 ± 0.0004 Å
b	7.6601 ± 0.0002 Å
c	22.9023 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2882.24 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298783 (current)	2025-04-05	cif/ Updating files of 7134262 Original log message: Adding full bibliography for 7134262.cif.	7134262.cif
297707	2025-02-13	cif/ Adding structures of 7134262 via cif-deposit CGI script.	7134262.cif