Crystallography Open Database

Information card for entry 4038863

Preview

Coordinates	4038863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 N O2
Calculated formula	C26 H21 N O2
Title of publication	Metal-Free Indole-Phenacyl Bromide Cyclization: A Regioselective Synthesis of 3,5-Diarylcarbazoles.
Authors of publication	Debnath, Sudipto; Das, Tuluma; Pati, Tanmay K.; Majumdar, Swapan; Maiti, Dilip K.
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	20
Pages of publication	13272 - 13279
a	10.676 ± 0.004 Å
b	8.467 ± 0.003 Å
c	11.173 ± 0.004 Å
α	90°
β	106.897 ± 0.004°
γ	90°
Cell volume	966.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	0.846
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
258718 (current)	2020-11-04	cif/ Updating files of 4038863 Original log message: Adding full bibliography for 4038863.cif.	4038863.cif
256961	2020-10-03	cif/ Adding structures of 4038863 via cif-deposit CGI script.	4038863.cif