Crystallography Open Database

Information card for entry 1555638

Preview

Coordinates	1555638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H26
Calculated formula	C41 H26
SMILES	c12c(ccc3c1c1c(C(c4c1c1c(ccc5c1cccc5)cc4)(c1ccccc1)c1ccccc1)cc3)cccc2
Title of publication	Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.
Authors of publication	Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	15
Pages of publication	3654 - 3657
a	9.8499 ± 0.0002 Å
b	11.1882 ± 0.0002 Å
c	24.6237 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2713.6 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	2
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1146
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.2675
Goodness-of-fit parameter for all reflections included in the refinement	1.777
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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