Crystallography Open Database

Information card for entry 7718306

Preview

Coordinates	7718306.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-methyl-Indole-BHMeoCb2
Formula	C31 H74 B42 Cl2 N2
Calculated formula	C31 H74 B42 Cl2 N2
Title of publication	Dearomative C2-borylation of indoles.
Authors of publication	Begum, Ayesha; Akram, Manjur O.; Martin, Caleb D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	14
Pages of publication	5664 - 5667
a	15.5145 ± 0.0005 Å
b	18.9095 ± 0.0006 Å
c	38.3552 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	11252.3 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0789
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
300896 (current)	2025-07-06	cif/ Updating files of 7718305, 7718306 Original log message: Adding full bibliography for 7718305--7718306.cif.	7718306.cif
298418	2025-03-13	cif/ Adding structures of 7718305, 7718306 via cif-deposit CGI script.	7718306.cif