Crystallography Open Database

Information card for entry 7159341

Preview

Coordinates	7159341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 B N2 O Si
Calculated formula	C15 H17 B N2 O Si
SMILES	[Si](C)(C)(c1ccccc1)B1Nc2c(C(=O)N1)cccc2
Title of publication	Efficient one-pot synthesis of dan-substituted organo- and silyl-boron compounds.
Authors of publication	Tomota, Kazuki; Izumi, Yuki; Nakanishi, Kazuki; Nakamoto, Masaaki; Yoshida, Hiroto
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	26
Pages of publication	5347 - 5350
a	11.094 ± 0.01 Å
b	12.199 ± 0.012 Å
c	22.35 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	3025 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
285516 (current)	2023-08-05	cif/ Updating files of 7159341 Original log message: Adding full bibliography for 7159341.cif.	7159341.cif
282976	2023-05-04	cif/ Adding structures of 7159341 via cif-deposit CGI script.	7159341.cif