Crystallography Open Database

Information card for entry 4020520

4020519 << 4020520 >> 4020521

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Coordinates	4020520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H30 O
Calculated formula	C37 H30 O
SMILES	O=C1[C@@]2(c3c4c(cc(c(c5ccc(cc5)C)c4cc(C)c3)C)[C@@H]2C(=C1c1ccccc1)c1ccccc1)C.O=C1[C@]2(c3c4c(cc(c(c5ccc(cc5)C)c4cc(C)c3)C)[C@H]2C(=C1c1ccccc1)c1ccccc1)C
Title of publication	Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms
Authors of publication	Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	8364 - 8371
a	9.7136 ± 0.0007 Å
b	12.0508 ± 0.0002 Å
c	12.8856 ± 0.0002 Å
α	107.365 ± 0.002°
β	104.062 ± 0.002°
γ	97.428 ± 0.002°
Cell volume	1362.9 ± 0.1 Å³
Cell temperature	223.2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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