Crystallography Open Database

Information card for entry 1571739

Preview

Coordinates	1571739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 B10 N2 O2
Calculated formula	C20 H26 B10 N2 O2
Title of publication	A Pd-catalyzed route to carborane-fused boron heterocycles.
Authors of publication	Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	27
Pages of publication	10392 - 10401
a	11.0742 ± 0.0006 Å
b	8.9131 ± 0.0005 Å
c	11.9898 ± 0.0007 Å
α	90°
β	97.772 ± 0.002°
γ	90°
Cell volume	1172.59 ± 0.11 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293754 (current)	2024-08-05	cif/ Updating files of 1571739, 1571740, 1571741, 1571742, 1571743, 1571744, 1571745, 1571746, 1571747, 1571748, 1571749 Original log message: Adding full bibliography for 1571739--1571749.cif.	1571739.cif
292134	2024-06-01	cif/ Adding structures of 1571739, 1571740, 1571741, 1571742, 1571743, 1571744, 1571745, 1571746, 1571747, 1571748, 1571749 via cif-deposit CGI script.	1571739.cif