Crystallography Open Database

Information card for entry 7206048

7206047 << 7206048 >> 7206049

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Structure parameters

Formula	C21 H20 O2
Calculated formula	C21 H20 O2
SMILES	c1cccc2c1c(c1ccccc1c2)C(=O)OC1CCCCC1
Title of publication	Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives
Authors of publication	Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.
Journal of publication	Journal of Materials Chemistry
Year of publication	2011
Journal volume	21
Journal issue	17
Pages of publication	6258
a	11.2996 ± 0.0005 Å
b	12.3091 ± 0.0006 Å
c	12.3511 ± 0.0006 Å
α	88.7806 ± 0.0007°
β	74.3156 ± 0.0007°
γ	75.1626 ± 0.0007°
Cell volume	1596.65 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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