Crystallography Open Database

Information card for entry 7159393

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Coordinates	7159393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N O6
Calculated formula	C27 H29 N O6
Title of publication	(3 + 3) Annulation of acetoxy allenoates with enolisable carbonyl substrates leading to fused pyrans.
Authors of publication	Debnath, Shubham; Chauhan, Sachin; Kumara Swamy, K. C.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	24
Pages of publication	5021 - 5032
a	11.7617 ± 0.0004 Å
b	21.8252 ± 0.0008 Å
c	9.9033 ± 0.0003 Å
α	90°
β	107.445 ± 0.004°
γ	90°
Cell volume	2425.26 ± 0.15 Å³
Cell temperature	300.7 K
Ambient diffraction temperature	300.7 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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