Crystallography Open Database

Information card for entry 2200914

2200913 << 2200914 >> 2200915

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Structure parameters

Chemical name	9,10-Bis(3-hydroxy-3,3-diphenylprop-1-ynyl)anthracene N,N'dimethylformamide solvate
Formula	C47 H37 N O3
Calculated formula	C47 H37 N O3
SMILES	OC(C#Cc1c2ccccc2c(c2ccccc12)C#CC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=CN(C)C
Title of publication	9,10-Bis(3-hydroxy-3,3-diphenylprop-1-ynyl)anthracene <i>N</i>,<i>N</i>'-dimethylformamide solvate
Authors of publication	Sugadev, R.; Balasundaresan, D.; Chacko, K. K.; Ponnuswamy, M. N.; Sureskumar, S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	2
Pages of publication	o88 - o89
a	16.29 ± 0.003 Å
b	11.837 ± 0.002 Å
c	19.426 ± 0.004 Å
α	90°
β	104.11 ± 0.03°
γ	90°
Cell volume	3632.8 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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