Crystallography Open Database

Information card for entry 4024077

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Coordinates	4024077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24
Calculated formula	C22 H24
SMILES	C1(/C(Cc2ccccc12)(C)C)=C1\C(Cc2ccccc12)(C)C
Title of publication	Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes
Authors of publication	Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	6251 - 6254
a	10.1622 ± 0.0003 Å
b	11.5565 ± 0.0004 Å
c	16.7153 ± 0.0007 Å
α	70.356 ± 0.001°
β	73.339 ± 0.001°
γ	64.827 ± 0.002°
Cell volume	1649.3 ± 0.1 Å³
Cell temperature	113.2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.868
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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