Crystallography Open Database

Information card for entry 7157404

Preview

Coordinates	7157404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H43 N3
Calculated formula	C47 H43 N3
Title of publication	Chemical transformations of push-pull fluorenones: push-pull dibenzodicyanofulvenes as well as fluorenone- and dibenzodicyanofulvene-tetracyanobutadiene conjugates.
Authors of publication	Kato, Shin-Ichiro; Kijima, Tomokazu; Shiota, Yoshihito; Abe, Tsukasa; Kuwako, Satoshi; Miyauchi, Hidenori; Yoshikawa, Naoki; Yamamoto, Koji; Yoshizawa, Kazunari; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	22
Pages of publication	4198 - 4209
a	15.001 ± 0.002 Å
b	16.5592 ± 0.0018 Å
c	30.27 ± 0.004 Å
α	90°
β	100.711 ± 0.004°
γ	90°
Cell volume	7388.2 ± 1.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253979 (current)	2020-07-06	cif/ Updating files of 7157394, 7157395, 7157396, 7157397, 7157398, 7157399, 7157400, 7157401, 7157402, 7157403, 7157404, 7157405 Original log message: Adding full bibliography for 7157394--7157405.cif.	7157404.cif
249315	2020-03-12	cif/ Adding structures of 7157394, 7157395, 7157396, 7157397, 7157398, 7157399, 7157400, 7157401, 7157402, 7157403, 7157404, 7157405 via cif-deposit CGI script.	7157404.cif