Crystallography Open Database

Information card for entry 7111204

Preview

Coordinates	7111204.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-[9-(10'-methyl-9',10'-dihydro-acridin-9'-yl)-9H-fluoren-9-yl]-malononitrile
Formula	C30 H21 N3
Calculated formula	C30 H21 N3
SMILES	c1cccc2c3ccccc3C(c12)(C(C#N)C#N)C1c2c(N(c3ccccc13)C)cccc2
Title of publication	Novel photo-induced coupling reaction of 9-fluorenylidenemalononitrile with 10-methyl-9,10-dihydroacridine
Authors of publication	Jiang, Hong; Liu, You-Cheng; Li, Jing; Wang, Guan-Wu; Wu, Yun-Dong; Wang, Quan-Ming; Mak, Thomas C. W.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	8
Pages of publication	882
a	9.7538 ± 0.0005 Å
b	9.4805 ± 0.0005 Å
c	24.4914 ± 0.0013 Å
α	90°
β	95.071 ± 0.001°
γ	90°
Cell volume	2255.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0828
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	0.891
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
180226 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/12.	7111204.cif
96350	2014-01-29	cif/ Adding structures of 7111204 via cif-deposit CGI script.	7111204.cif