Crystallography Open Database

Information card for entry 4515138

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Structure parameters

Formula	C30 H24 O3
Calculated formula	C30 H24 O3
SMILES	O(C(c1cccc2ccccc12)c1cccc2ccccc12)[C@@H](c1ccccc1)C(=O)OC
Title of publication	Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.
Authors of publication	Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	2
Pages of publication	3244 - 3256
a	17.4359 ± 0.0013 Å
b	7.4145 ± 0.0005 Å
c	17.9343 ± 0.0011 Å
α	90°
β	97.876 ± 0.006°
γ	90°
Cell volume	2296.6 ± 0.3 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.0995
Weighted residual factors for significantly intense reflections	0.2606
Weighted residual factors for all reflections included in the refinement	0.3057
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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