Crystallography Open Database

Information card for entry 1570203

Preview

Coordinates	1570203.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	monoclinic
Formula	C31 H25 B F4 N2
Calculated formula	C31 H25 B F4 N2
Title of publication	Mechanistic insights into an NH<sub>4</sub>OAc-promoted imine dance in Rh-catalysed multicomponent double C-H annulations through an N-retention/exchange dual channel.
Authors of publication	Li, Shiqing; Lv, Shihai; Yang, Yanyan; Zhu, Peiyan; Zhao, Dongbing; Zeng, Ming-Hua
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	46
Pages of publication	13446 - 13452
a	8.5802 ± 0.0009 Å
b	19.2499 ± 0.0019 Å
c	15.3566 ± 0.0017 Å
α	90°
β	94.856 ± 0.006°
γ	90°
Cell volume	2527.3 ± 0.5 Å³
Cell temperature	260 K
Ambient diffraction temperature	260 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1623
Residual factor for significantly intense reflections	0.12
Weighted residual factors for significantly intense reflections	0.3367
Weighted residual factors for all reflections included in the refinement	0.3513
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288741 (current)	2024-01-06	cif/ Updating files of 1570203 Original log message: Adding full bibliography for 1570203.cif.	1570203.cif
287147	2023-10-28	cif/ Adding structures of 1570203 via cif-deposit CGI script.	1570203.cif