Crystallography Open Database

Information card for entry 7157397

Preview

Coordinates	7157397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H44 Cl3 N O
Calculated formula	C45 H44 Cl3 N O
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	17.038 ± 0.009 Å
b	21.523 ± 0.008 Å
c	11.237 ± 0.005 Å
α	90°
β	108.547 ± 0.013°
γ	90°
Cell volume	3907 ± 3 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
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	0.1041
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2265
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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.	7157397.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.	7157397.cif