Crystallography Open Database

Information card for entry 7229296

Preview

Coordinates	7229296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42
Calculated formula	C42 H42
SMILES	C1(c2ccccc2c2cc3c(cc12)c1ccccc1C3(C)C)(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
Title of publication	Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern
Authors of publication	Hempe, M.; Reggelin, M.
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	75
Pages of publication	47183
a	15.416 ± 0.002 Å
b	20.078 ± 0.002 Å
c	12.162 ± 0.002 Å
α	90°
β	118.63 ± 0.02°
γ	90°
Cell volume	3304.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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