Crystallography Open Database

Information card for entry 7234256

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Coordinates	7234256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H76 Cl2 O2
Calculated formula	C85 H76 Cl2 O2
Title of publication	Axial chiral aggregation-induced emission luminogens with aggregation-annihilated circular dichroism effect
Authors of publication	Haoke Zhang; Hongkun Li; Jia Wang; Jingzhi Sun; Anjun Qin; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	5162 - 5166
a	9.8354 ± 0.0002 Å
b	9.6965 ± 0.0003 Å
c	34.4455 ± 0.0009 Å
α	90°
β	90.286 ± 0.002°
γ	90°
Cell volume	3284.99 ± 0.15 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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