Crystallography Open Database

Information card for entry 7062788

Preview

Coordinates	7062788.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DK-CP-504
Formula	C21 H25 N O3
Calculated formula	C21 H25 N O3
Title of publication	Total synthesis of (−)-δ-lycorane
Authors of publication	Shukla, Jyoti; Gangwar, Manoj Kumar; Koley, Dipankar
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	41
Pages of publication	18900 - 18904
a	5.8887 ± 0.0008 Å
b	8.3187 ± 0.0012 Å
c	9.4843 ± 0.0013 Å
α	108.948 ± 0.003°
β	94.92 ± 0.004°
γ	93.497 ± 0.004°
Cell volume	435.86 ± 0.11 Å³
Cell temperature	423.15 K
Ambient diffraction temperature	423.15 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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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