Crystallography Open Database

Information card for entry 1519855

1519854 << 1519855 >> 1519856

Preview

Coordinates	1519855.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetracarbazole
Formula	C86 H108 N4
Calculated formula	C80 H94 N4
SMILES	n1(n2c3c(cc(cc3c3cc(ccc23)C(C)(C)C)C(C)(C)C)c2c3[nH]c4c(c3cc(c2)C(C)(C)C)cc(cc4)C(C)(C)C)c2c(cc(cc2c2cc(ccc12)C(C)(C)C)C(C)(C)C)c1c2[nH]c3c(c2cc(c1)C(C)(C)C)cc(cc3)C(C)(C)C
Title of publication	Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives
Authors of publication	Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	7
Pages of publication	4160
a	30.6695 ± 0.0011 Å
b	12.1512 ± 0.0005 Å
c	23.0584 ± 0.0009 Å
α	90°
β	119.572 ± 0.0009°
γ	90°
Cell volume	7473.9 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.2126
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.425
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
143350 (current)	2015-07-10	cif/ Updating files of 1519852, 1519853, 1519854, 1519855 Original log message: Adding full bibliography for 1519852--1519855.cif.	1519855.cif
137177	2015-05-22	cif/ Adding structures of 1519852, 1519853, 1519854, 1519855 via cif-deposit CGI script.	1519855.cif