Crystallography Open Database

Information card for entry 7134029

Preview

Coordinates	7134029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H34 O4
Calculated formula	C46 H34 O4
Title of publication	A rapid pathway to molecular complexity: a palladium-catalyzed six-fold domino process to access polycyclic frameworks.
Authors of publication	Goel, Komal; Satyanarayana, Gedu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	3
Pages of publication	536 - 539
a	33.896 ± 0.003 Å
b	12.289 ± 0.001 Å
c	16.7731 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	6986.8 ± 1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298085 (current)	2025-03-04	cif/ Updating files of 7134029 Original log message: Adding full bibliography for 7134029.cif.	7134029.cif
296179	2024-12-03	cif/ Adding structures of 7134029 via cif-deposit CGI script.	7134029.cif