Crystallography Open Database

Information card for entry 1575450

Preview

Coordinates	1575450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H17 Br2 N O2
Calculated formula	C26 H17 Br2 N O2
Title of publication	Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols
Authors of publication	Mohite, Manali A.; Balakrishna, Maravanji S.
Journal of publication	Catalysis Science & Technology
Year of publication	2025
Journal volume	15
Journal issue	19
Pages of publication	5713 - 5723
a	10.1389 ± 0.0011 Å
b	11.2656 ± 0.0013 Å
c	18.8705 ± 0.0017 Å
α	90°
β	91.136 ± 0.004°
γ	90°
Cell volume	2155 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0949
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	0.9936
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
302391 (current)	2025-10-06	cif/ Updating files of 1575447, 1575448, 1575449, 1575450 Original log message: Adding full bibliography for 1575447--1575450.cif.	1575450.cif
301743	2025-08-15	cif/ Adding structures of 1575447, 1575448, 1575449, 1575450 via cif-deposit CGI script.	1575450.cif