Crystallography Open Database

Information card for entry 7231310

Preview

Coordinates	7231310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 N2 O8
Calculated formula	C36 H32 N2 O8
Title of publication	Dimethylamine substituted bisbenzocoumarins: solvatochromic, mechanochromic and acidochromic properties
Authors of publication	Chen, Shaojin; Liu, Wei; Ge, Zhaohai; Zhang, Wenxuan; Wang, Kun-Peng; Hu, Zhi-Qiang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	36
Pages of publication	5432
a	29.9695 ± 0.0015 Å
b	8.1566 ± 0.0005 Å
c	12.1516 ± 0.0007 Å
α	90°
β	90.466 ± 0.005°
γ	90°
Cell volume	2970.4 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
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	0.0909
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.2221
Weighted residual factors for all reflections included in the refinement	0.2329
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229121 (current)	2019-11-17	cif/ Updating files of 7231310 Original log message: Adding full bibliography for 7231310.cif.	7231310.cif
209461	2018-08-08	cif/ Adding structures of 7231310 via cif-deposit CGI script.	7231310.cif