Crystallography Open Database

Information card for entry 7150964

Preview

Coordinates	7150964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 N2
Calculated formula	C46 H50 N2
SMILES	c12c(c3cc(cc(c3n1)C(C)(C)C)C(C)(C)C)c(c1ccccc1)c1c(c3cc(cc(c3n1)C(C)(C)C)C(C)(C)C)c2c1ccccc1
Title of publication	Facile synthesis of novel indolo[3,2-b]carbazole derivatives and a chromogenic-sensing 5,12-dihydroindolo[3,2-b]carbazole
Authors of publication	Gu, Rong; Robeyns, Koen; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	14
Pages of publication	2484 - 2487
a	5.7658 ± 0.0009 Å
b	12.225 ± 0.0015 Å
c	13.2296 ± 0.0015 Å
α	79.379 ± 0.007°
β	81.877 ± 0.009°
γ	88.968 ± 0.009°
Cell volume	907.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180295 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/09.	7150964.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150964.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150964.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7150964.cif