Crystallography Open Database

Information card for entry 7133881

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Coordinates	7133881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 N O5
Calculated formula	C27 H25 N O5
Title of publication	Expedient (3+3)-annulation of carbonyl ylides with azaoxyallyl cations: formal access to oxa-benzo[c]azepin-3-ones
Authors of publication	Verma, Kshitiz; Bhattacharyya, Hemanga; Saha, Sharajit; Punniyamurthy, Tharmalingam
Journal of publication	Chemical Communications
Year of publication	2024
a	18.656 ± 0.004 Å
b	9.9609 ± 0.0018 Å
c	12.339 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2293 ± 0.7 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.201
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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