Crystallography Open Database

Information card for entry 7127275

Preview

Coordinates	7127275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.75 H7.75
Calculated formula	C9 H6
Title of publication	Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.
Authors of publication	Jiménez, Vicente G; Mayorga-Burrezo, Paula; Blanco, Victor; Lloveras, Vega; Gómez-García, Carlos J; Šolomek, Tomáš; Cuerva, Juan M.; Veciana, Jaume; Campaña, Araceli G
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	84
Pages of publication	12813 - 12816
a	20.155 ± 0.0015 Å
b	4.7512 ± 0.0004 Å
c	26.999 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2585.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
260689 (current)	2021-01-07	cif/ Updating files of 7127275, 7127276 Original log message: Adding full bibliography for 7127275--7127276.cif.	7127275.cif
256509	2020-09-18	cif/ Adding structures of 7127275, 7127276 via cif-deposit CGI script.	7127275.cif