Crystallography Open Database

Information card for entry 7221902

7221901 << 7221902 >> 7221903

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Coordinates	7221902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 N6 O3
Calculated formula	C48 H42 N6 O3
Title of publication	Steric group enforced aromatic cyclic trimer conformer in tripodal molecules
Authors of publication	Shankar, Deval sathiyashivan; Shankar, Bhaskaran; Rajakannu, Palanisamy; Vishnoi, Pratap; Masram, Dhanraj T.; Malaichamy, Sathiyendiran
Journal of publication	RSC Adv.
Year of publication	2015
a	11.134 ± 0.003 Å
b	14.065 ± 0.003 Å
c	16.033 ± 0.003 Å
α	65.252 ± 0.013°
β	69.867 ± 0.014°
γ	79.935 ± 0.017°
Cell volume	2139.5 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2137
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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