Crystallography Open Database

Information card for entry 7159995

Preview

Coordinates	7159995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 O2
Calculated formula	C26 H22 O2
Title of publication	Phosphine-promoted intramolecular Rauhut-Currier/Wittig reaction cascade to access (hetero)arene-fused diquinanes.
Authors of publication	Maurya, Jay Prakash; Swain, Subham S.; Ramasastry, S. S. V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	28
Pages of publication	5718 - 5723
a	10.3208 ± 0.0006 Å
b	12.3275 ± 0.0007 Å
c	16.0767 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2045.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
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
293929 (current)	2024-08-05	cif/ Updating files of 7159995, 7159996 Original log message: Adding full bibliography for 7159995--7159996.cif.	7159995.cif
292541	2024-06-24	cif/ Adding structures of 7159995, 7159996 via cif-deposit CGI script.	7159995.cif