Crystallography Open Database

Information card for entry 1571480

Preview

Coordinates	1571480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 B N O5
Calculated formula	C29 H36 B N O5
Title of publication	Copper-catalyzed remote double functionalization of allenynes.
Authors of publication	Song, Yulong; Fu, Chunling; Zheng, Jian; Ma, Shengming
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	20
Pages of publication	7789 - 7794
a	17.1404 ± 0.0017 Å
b	28.846 ± 0.003 Å
c	11.2819 ± 0.001 Å
α	90°
β	99.946 ± 0.003°
γ	90°
Cell volume	5494.3 ± 0.9 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.1079
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2435
Weighted residual factors for all reflections included in the refinement	0.2754
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
292903 (current)	2024-07-05	cif/ Updating files of 1571479, 1571480 Original log message: Adding full bibliography for 1571479--1571480.cif.	1571480.cif
291319	2024-04-23	cif/ Adding structures of 1571479, 1571480 via cif-deposit CGI script.	1571480.cif