Crystallography Open Database

Information card for entry 4023089

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Coordinates	4023089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.5 H38 Cl3 O
Calculated formula	C59.5 H31 Cl3 O
Title of publication	Construction of Unusual and Congested Polycyclic Structures via Benzannulated Enediynyl Alcohols Derived from Truxenone
Authors of publication	Yu-Hsuan Wang; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	9604 - 9608
a	15.8932 ± 0.0011 Å
b	16.4553 ± 0.0011 Å
c	17.6576 ± 0.0011 Å
α	89.152 ± 0.001°
β	84.07 ± 0.001°
γ	78.997 ± 0.001°
Cell volume	4508.7 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1591
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	0.814
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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